ethyl 4-(3-fluorophenyl)-3-(2-methylpropanoylamino)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(3-fluorophenyl)-3-(2-methylpropanoylamino)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(3-fluorophenyl)-3-(2-methylpropanoylamino)pyrrole-2-carboxylate CAS Name: 4-(3-fluorophenyl)-3-[(2-methyl-1-oxopropyl)amino]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(3-fluorophenyl)-3-(2-methylpropanoylamino)pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(3-fluorophenyl)-3-(isobutyrylamino)pyrrole-2-carboxylic acid ethyl ester Formula: C24H25FN2O3 MolecularWeight: 408.465303

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN2O3/c1-4-30-24(29)22-21(26-23(28)16(2)3)20(18-11-8-12-19(25)13-18)15-27(22)14-17-9-6-5-7-10-17/h5-13,15-16H,4,14H2,1-3H3,(H,26,28)