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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-3-(3-methylbutanoylamino)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(4-methoxyphenyl)-3-(3-methylbutanoylamino)pyrrole-2-carboxylate CAS Name: 4-(4-methoxyphenyl)-3-[(3-methyl-1-oxobutyl)amino]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(4-methoxyphenyl)-3-(3-methylbutanoylamino)pyrrole-2-carboxylate Traditional Name: 1-benzyl-3-(isovalerylamino)-4-(4-methoxyphenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-5-32-26(30)25-24(27-23(29)15-18(2)3)22(20-11-13-21(31-4)14-12-20)17-28(25)16-19-9-7-6-8-10-19/h6-14,17-18H,5,15-16H2,1-4H3,(H,27,29)