[(4S)-4-cyano-4-phenyl-butyl] 2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethanoate

Systemtic Name: [(4S)-4-cyano-4-phenyl-butyl] 2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethanoate Openeye Name: [(4S)-4-cyano-4-phenyl-butyl] 2-[(4S)-2,2-dimethyl-4-(p-tolyl)tetrahydropyran-4-yl]acetate CAS Name: 2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)-4-oxanyl]acetic acid [(4S)-4-cyano-4-phenylbutyl] ester IUPAC Name: [(4S)-4-cyano-4-phenylbutyl] 2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetate Traditional Name: 2-[(4S)-2,2-dimethyl-4-(p-tolyl)tetrahydropyran-4-yl]acetic acid [(4S)-4-cyano-4-phenyl-butyl] ester Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCOC(C2)(C)C)CC(=O)OCCCC(C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@]2(CCOC(C2)(C)C)CC(=O)OCCC[C@H](C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H33NO3/c1-21-11-13-24(14-12-21)27(15-17-31-26(2,3)20-27)18-25(29)30-16-7-10-23(19-28)22-8-5-4-6-9-22/h4-6,8-9,11-14,23H,7,10,15-18,20H2,1-3H3/t23-,27-/m1/s1