2-[(3-chlorophenyl)carbonylamino]-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 2-[(3-chlorophenyl)carbonylamino]-4,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-benzyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethyl-pyrrole-3-carboxylic acid Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)O)NC(=O)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C(=O)O)NC(=O)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H19ClN2O3/c1-13-14(2)24(12-15-7-4-3-5-8-15)19(18(13)21(26)27)23-20(25)16-9-6-10-17(22)11-16/h3-11H,12H2,1-2H3,(H,23,25)(H,26,27)