ethyl 4-(4-methoxyphenyl)-3-[[(E)-2-methylbut-2-enoyl]amino]-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(4-methoxyphenyl)-3-[[(E)-2-methylbut-2-enoyl]amino]-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(4-methoxyphenyl)-3-[[(E)-2-methylbut-2-enoyl]amino]pyrrole-2-carboxylate CAS Name: 4-(4-methoxyphenyl)-3-[[(E)-2-methyl-1-oxobut-2-enyl]amino]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(4-methoxyphenyl)-3-[[(E)-2-methylbut-2-enoyl]amino]pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(4-methoxyphenyl)-3-[[(E)-2-methylbut-2-enoyl]amino]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)C(=CC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O4/c1-5-18(3)25(29)27-23-22(20-12-14-21(31-4)15-13-20)17-28(24(23)26(30)32-6-2)16-19-10-8-7-9-11-19/h5,7-15,17H,6,16H2,1-4H3,(H,27,29)/b18-5+