[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C)C

InChI

InChI=1S/C21H25ClN2O4/c1-5-24-13(2)10-18(14(24)3)20(26)12-28-21(27)11-19(23-15(4)25)16-6-8-17(22)9-7-16/h6-10,19H,5,11-12H2,1-4H3,(H,23,25)