methyl 2-[(3S,3aS,5aR,7S,9aR,9bS)-3-cyano-3a,7-dimethyl-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]ethanoate

Systemtic Name: methyl 2-[(3S,3aS,5aR,7S,9aR,9bS)-3-cyano-3a,7-dimethyl-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]ethanoate Openeye Name: methyl 2-[(3S,3aS,5aR,7S,9aR,9bS)-3-cyano-3a,7-dimethyl-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetate CAS Name: 2-[(3S,3aS,5aR,7S,9aR,9bS)-3-cyano-3a,7-dimethyl-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,3aS,5aR,7S,9aR,9bS)-3-cyano-3a,7-dimethyl-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]acetate Traditional Name: 2-[(3S,3aS,5aR,7S,9aR,9bS)-3-cyano-3a,7-dimethyl-2,3,4,5,5a,6,8,9,9a,9b-decahydro-1H-benz[e]inden-7-yl]acetic acid methyl ester Formula: C19H29NO2 MolecularWeight: 303.43906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1)CCC3(C2CCC3C#N)C)CC(=O)OC

Isomeric SMILES

C[C@@]1(CC[C@@H]2[C@@H](C1)CC[C@]3([C@H]2CC[C@@H]3C#N)C)CC(=O)OC

InChI

InChI=1S/C19H29NO2/c1-18(11-17(21)22-3)8-7-15-13(10-18)6-9-19(2)14(12-20)4-5-16(15)19/h13-16H,4-11H2,1-3H3/t13-,14-,15-,16+,18+,19-/m1/s1