ethyl 3-[(5-methoxy-5-oxidanylidene-pentanoyl)amino]-4-(4-methoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3-[(5-methoxy-5-oxidanylidene-pentanoyl)amino]-4-(4-methoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-3-[(5-methoxy-5-oxo-pentanoyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylate CAS Name: 3-[(5-methoxy-1,5-dioxopentyl)amino]-4-(4-methoxyphenyl)-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[(5-methoxy-5-oxopentanoyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-3-[(5-keto-5-methoxy-pentanoyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C27H30N2O6 MolecularWeight: 478.5369

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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)CCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O6/c1-4-35-27(32)26-25(28-23(30)11-8-12-24(31)34-3)22(20-13-15-21(33-2)16-14-20)18-29(26)17-19-9-6-5-7-10-19/h5-7,9-10,13-16,18H,4,8,11-12,17H2,1-3H3,(H,28,30)