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

Systemtic Name: ethyl 4-(3-fluorophenyl)-3-(2-methylbutanoylamino)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(3-fluorophenyl)-3-(2-methylbutanoylamino)pyrrole-2-carboxylate CAS Name: 4-(3-fluorophenyl)-3-[(2-methyl-1-oxobutyl)amino]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(3-fluorophenyl)-3-(2-methylbutanoylamino)pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(3-fluorophenyl)-3-(2-methylbutanoylamino)pyrrole-2-carboxylic acid ethyl ester Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(N(C=C1C2=CC(=CC=C2)F)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C)C(=O)NC1=C(N(C=C1C2=CC(=CC=C2)F)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H27FN2O3/c1-4-17(3)24(29)27-22-21(19-12-9-13-20(26)14-19)16-28(23(22)25(30)31-5-2)15-18-10-7-6-8-11-18/h6-14,16-17H,4-5,15H2,1-3H3,(H,27,29)