[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(4-bromo-3-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-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-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-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O3/c1-14-10-17(7-8-20(14)23)25-21(27)13-29-22(28)19-11-15(2)26(16(19)3)12-18-6-4-5-9-24-18/h4-11H,12-13H2,1-3H3,(H,25,27)