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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-3-(2-methylpropanoylamino)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(4-methoxyphenyl)-3-(2-methylpropanoylamino)pyrrole-2-carboxylate CAS Name: 4-(4-methoxyphenyl)-3-[(2-methyl-1-oxopropyl)amino]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(4-methoxyphenyl)-3-(2-methylpropanoylamino)pyrrole-2-carboxylate Traditional Name: 1-benzyl-3-(isobutyrylamino)-4-(4-methoxyphenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4/c1-5-31-25(29)23-22(26-24(28)17(2)3)21(19-11-13-20(30-4)14-12-19)16-27(23)15-18-9-7-6-8-10-18/h6-14,16-17H,5,15H2,1-4H3,(H,26,28)