[2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[2-(isobutylcarbamoyl)anilino]-2-oxo-ethyl] 4-chloro-1-methyl-pyrrole-2-carboxylate CAS Name: 4-chloro-1-methyl-2-pyrrolecarboxylic acid [2-[2-[(2-methylpropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1-methylpyrrole-2-carboxylate Traditional Name: 4-chloro-1-methyl-pyrrole-2-carboxylic acid [2-[2-(isobutylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN2C)Cl

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN2C)Cl

InChI

InChI=1S/C19H22ClN3O4/c1-12(2)9-21-18(25)14-6-4-5-7-15(14)22-17(24)11-27-19(26)16-8-13(20)10-23(16)3/h4-8,10,12H,9,11H2,1-3H3,(H,21,25)(H,22,24)