[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)CCC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)CCC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C22H24N2O3/c1-15-4-10-20(12-16(15)2)17(3)24-21(25)14-27-22(26)11-9-18-5-7-19(13-23)8-6-18/h4-8,10,12,17H,9,11,14H2,1-3H3,(H,24,25)