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

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-3-[(6-methoxy-6-oxidanylidene-hexanoyl)amino]-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-[(6-methoxy-6-oxo-hexanoyl)amino]pyrrole-2-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-3-[(6-methoxy-1,6-dioxohexyl)amino]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(3,4-dimethoxyphenyl)-3-[(6-methoxy-6-oxohexanoyl)amino]pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(3,4-dimethoxyphenyl)-3-[(6-keto-6-methoxy-hexanoyl)amino]pyrrole-2-carboxylic acid ethyl ester Formula: C29H34N2O7 MolecularWeight: 522.58946

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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)OC)NC(=O)CCCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O7/c1-5-38-29(34)28-27(30-25(32)13-9-10-14-26(33)37-4)22(19-31(28)18-20-11-7-6-8-12-20)21-15-16-23(35-2)24(17-21)36-3/h6-8,11-12,15-17,19H,5,9-10,13-14,18H2,1-4H3,(H,30,32)