[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)cyclohexen-1-yl] ethanoate

Systemtic Name: [(4S)-4-cyano-4-(3,4-dimethoxyphenyl)cyclohexen-1-yl] ethanoate Openeye Name: [(4S)-4-cyano-4-(3,4-dimethoxyphenyl)cyclohexen-1-yl] acetate CAS Name: acetic acid [(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-1-cyclohexenyl] ester IUPAC Name: [(4S)-4-cyano-4-(3,4-dimethoxyphenyl)cyclohexen-1-yl] acetate Traditional Name: acetic acid [(4S)-4-cyano-4-(3,4-dimethoxyphenyl)cyclohexen-1-yl] ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)OC1=CC[C@](CC1)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H19NO4/c1-12(19)22-14-6-8-17(11-18,9-7-14)13-4-5-15(20-2)16(10-13)21-3/h4-6,10H,7-9H2,1-3H3/t17-/m0/s1