2-[(3aS,4R,5S,7aS)-5-(6-cyanohex-1-en-2-yl)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-3,3a,4,5,6,7-hexahydroinden-4-yl]ethanoic acid

Systemtic Name: 2-[(3aS,4R,5S,7aS)-5-(6-cyanohex-1-en-2-yl)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-3,3a,4,5,6,7-hexahydroinden-4-yl]ethanoic acid Openeye Name: 2-[(3aS,4R,5S,7aS)-5-(5-cyano-1-methylene-pentyl)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]acetic acid CAS Name: 2-[(3aS,4R,5S,7aS)-5-(6-cyanohex-1-en-2-yl)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-3,3a,4,5,6,7-hexahydroinden-4-yl]acetic acid IUPAC Name: 2-[(3aS,4R,5S,7aS)-5-(6-cyanohex-1-en-2-yl)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-3,3a,4,5,6,7-hexahydroinden-4-yl]acetic acid Traditional Name: 2-[(3aS,4R,5S,7aS)-5-[1-(4-cyanobutyl)vinyl]-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]acetic acid Formula: C27H43NO2 MolecularWeight: 413.63582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1=CCC2C1(CCC(C2CC(=O)O)C(=C)CCCCC#N)C

Isomeric SMILES

C[C@H](CCCC(C)C)C1=CC[C@@H]2[C@@]1(CC[C@@H]([C@H]2CC(=O)O)C(=C)CCCCC#N)C

InChI

InChI=1S/C27H43NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h13,19,21-23,25H,3,6-12,14-16,18H2,1-2,4-5H3,(H,29,30)/t21-,22-,23-,25+,27-/m1/s1