EOO
Summary
| Name: | (1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Formula: | C19 H22 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 358.388 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H22N2O5/c1-26-19(25)21-10-4-5-12-11-13(8-9-16(12)21)20-17(22)14-6-2-3-7-15(14)18(23)24/h2-3,8-9,11,14-15H,4-7,10H2,1H3,(H,20,22)(H,23,24)/t14-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | KPFUFQIEFZZIBO-CABCVRRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)N1CCCc2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(O)=O)ccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)N1CCCc2cc(NC(=O)[CH]3CC=CC[CH]3C(O)=O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)N1CCCc2c1ccc(c2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)N1CCCc2c1ccc(c2)NC(=O)C3CC=CCC3C(=O)O |
