[4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl] ethanoate

Systemtic Name: [4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl] ethanoate Openeye Name: [4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl] acetate CAS Name: acetic acid [4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl] ester IUPAC Name: [4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl] acetate Traditional Name: acetic acid [4-cyano-4-(3,4-dimethoxyphenyl)cyclohexyl] ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)OC1CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H21NO4/c1-12(19)22-14-6-8-17(11-18,9-7-14)13-4-5-15(20-2)16(10-13)21-3/h4-5,10,14H,6-9H2,1-3H3