ethyl 3-[(6-methoxy-6-oxidanylidene-hexanoyl)amino]-4-(4-methoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3-[(6-methoxy-6-oxidanylidene-hexanoyl)amino]-4-(4-methoxyphenyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-3-[(6-methoxy-6-oxo-hexanoyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylate CAS Name: 3-[(6-methoxy-1,6-dioxohexyl)amino]-4-(4-methoxyphenyl)-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[(6-methoxy-6-oxohexanoyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-3-[(6-keto-6-methoxy-hexanoyl)amino]-4-(4-methoxyphenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C28H32N2O6 MolecularWeight: 492.56348

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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)CCCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O6/c1-4-36-28(33)27-26(29-24(31)12-8-9-13-25(32)35-3)23(21-14-16-22(34-2)17-15-21)19-30(27)18-20-10-6-5-7-11-20/h5-7,10-11,14-17,19H,4,8-9,12-13,18H2,1-3H3,(H,29,31)