methyl 3-[3-(4-cyanophenyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: methyl 3-[3-(4-cyanophenyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: methyl 3-[3-(4-cyanophenyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-[[3-(4-cyanophenyl)-1-oxopropyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-cyanophenyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-[3-(4-cyanophenyl)propanoylamino]-3-(3,4-dimethoxyphenyl)propionic acid methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)CCC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C22H24N2O5/c1-27-19-10-9-17(12-20(19)28-2)18(13-22(26)29-3)24-21(25)11-8-15-4-6-16(14-23)7-5-15/h4-7,9-10,12,18H,8,11,13H2,1-3H3,(H,24,25)