A1L1V
Summary
Name: | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
Formula: | C22 H32 O3 |
Formal charge: | 0 |
Formula weight: | 344.488 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C22H32O3/c1-14-8-11-22(12-9-14)13-10-16-7-6-15(2)17(18(16)22)19(20(23)24)25-21(3,4)5/h6-7,14,19H,8-13H2,1-5H3,(H,23,24)/t14-,19?,22- |
InChIKey | InChI | 1.06 | YQKPBBPKXKYAIA-XYFPIFFSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC[C@@]2(CC1)CCc3ccc(C)c([C@H](OC(C)(C)C)C(O)=O)c23 |
SMILES | CACTVS | 3.385 | C[CH]1CC[C]2(CC1)CCc3ccc(C)c([CH](OC(C)(C)C)C(O)=O)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1[C@@H](C(=O)O)OC(C)(C)C)C3(CC2)CCC(CC3)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1C(C(=O)O)OC(C)(C)C)C3(CC2)CCC(CC3)C |