ethyl 4-(3-fluorophenyl)-3-[(4-methylphenyl)carbonylamino]-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(3-fluorophenyl)-3-[(4-methylphenyl)carbonylamino]-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(3-fluorophenyl)-3-[(4-methylbenzoyl)amino]pyrrole-2-carboxylate CAS Name: 4-(3-fluorophenyl)-3-[[(4-methylphenyl)-oxomethyl]amino]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(3-fluorophenyl)-3-[(4-methylbenzoyl)amino]pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(3-fluorophenyl)-3-(p-toluoylamino)pyrrole-2-carboxylic acid ethyl ester Formula: C28H25FN2O3 MolecularWeight: 456.508103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=CC=C3)F)NC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=CC=C3)F)NC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H25FN2O3/c1-3-34-28(33)26-25(30-27(32)21-14-12-19(2)13-15-21)24(22-10-7-11-23(29)16-22)18-31(26)17-20-8-5-4-6-9-20/h4-16,18H,3,17H2,1-2H3,(H,30,32)