[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C21H22ClNO4/c1-14-5-6-17(12-15(14)2)19(24)13-27-20(25)4-3-11-23-21(26)16-7-9-18(22)10-8-16/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26)