[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]ethanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]ethanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]acetate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]acetic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate Traditional Name: 2-[(4-chlorobenzoyl)amino]acetic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O4/c1-12-9-17(13(2)23(12)16-7-8-16)18(24)11-27-19(25)10-22-20(26)14-3-5-15(21)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,22,26)