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Summary
| Name: | methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate |
| Formula: | C28 H34 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 474.595 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate |
| OpenEye OEToolkits | 1.7.6 | methyl 4-[2-benzamido-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)C5CCC(n2c(nc1ccc(cc12)CN3CCCCC3)NC(=O)c4ccccc4)CC5 |
| InChI | InChI | 1.03 | InChI=1S/C28H34N4O3/c1-35-27(34)22-11-13-23(14-12-22)32-25-18-20(19-31-16-6-3-7-17-31)10-15-24(25)29-28(32)30-26(33)21-8-4-2-5-9-21/h2,4-5,8-10,15,18,22-23H,3,6-7,11-14,16-17,19H2,1H3,(H,29,30,33)/t22-,23+ |
| InChIKey | InChI | 1.03 | NFTRTTWPZBZTLY-ZRZAMGCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)[C@@H]1CC[C@@H](CC1)n2c(NC(=O)c3ccccc3)nc4ccc(CN5CCCCC5)cc24 |
| SMILES | CACTVS | 3.370 | COC(=O)[CH]1CC[CH](CC1)n2c(NC(=O)c3ccccc3)nc4ccc(CN5CCCCC5)cc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COC(=O)C1CCC(CC1)n2c3cc(ccc3nc2NC(=O)c4ccccc4)CN5CCCCC5 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC(=O)C1CCC(CC1)n2c3cc(ccc3nc2NC(=O)c4ccccc4)CN5CCCCC5 |
