[4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [4-[(4-chloranyl-3-methyl-phenyl)carbamoyl]phenyl]methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [4-[(4-chloro-3-methyl-phenyl)carbamoyl]phenyl]methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [4-[(4-chloro-3-methylanilino)-oxomethyl]phenyl]methyl ester IUPAC Name: [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [4-[(4-chloro-3-methyl-phenyl)carbamoyl]benzyl] ester Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)COC(=O)C3=CC(=CN3)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)COC(=O)C3=CC(=CN3)C(=O)C)Cl

InChI

InChI=1S/C22H19ClN2O4/c1-13-9-18(7-8-19(13)23)25-21(27)16-5-3-15(4-6-16)12-29-22(28)20-10-17(11-24-20)14(2)26/h3-11,24H,12H2,1-2H3,(H,25,27)