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

Systemtic Name: ethyl 4-(4-methoxyphenyl)-3-(pent-4-enoylamino)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(4-methoxyphenyl)-3-(pent-4-enoylamino)pyrrole-2-carboxylate CAS Name: 4-(4-methoxyphenyl)-3-(1-oxopent-4-enylamino)-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(4-methoxyphenyl)-3-(pent-4-enoylamino)pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(4-methoxyphenyl)-3-(pent-4-enoylamino)pyrrole-2-carboxylic acid ethyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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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)CCC=C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O4/c1-4-6-12-23(29)27-24-22(20-13-15-21(31-3)16-14-20)18-28(25(24)26(30)32-5-2)17-19-10-8-7-9-11-19/h4,7-11,13-16,18H,1,5-6,12,17H2,2-3H3,(H,27,29)