[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(2-chloroanilino)-2-oxo-ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [2-(2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloroanilino)-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(2-chloroanilino)-2-keto-ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H21ClN2O3/c1-15-12-18(16(2)25(15)13-17-8-4-3-5-9-17)22(27)28-14-21(26)24-20-11-7-6-10-19(20)23/h3-12H,13-14H2,1-2H3,(H,24,26)