[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 2,5-dimethyl-1-(2-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-pyridinylmethyl)-3-pyrrolecarboxylic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-pyridylmethyl)pyrrole-3-carboxylic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=N2)C)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C22H22ClN3O3/c1-14-11-18(16(3)26(14)12-17-7-4-5-10-24-17)22(28)29-13-21(27)25-20-9-6-8-19(23)15(20)2/h4-11H,12-13H2,1-3H3,(H,25,27)