[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H26N2O5/c1-14(19(24)22-20(13-21)9-5-4-6-10-20)27-18(23)12-15-7-8-16(25-2)17(11-15)26-3/h7-8,11,14H,4-6,9-10,12H2,1-3H3,(H,22,24)