[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C23H23FN2O3 MolecularWeight: 394.438723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3)C)F

InChI

InChI=1S/C23H23FN2O3/c1-15-9-10-21(20(24)11-15)25-22(27)14-29-23(28)19-12-16(2)26(17(19)3)13-18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,25,27)