dimethyl 2-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[4-[2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-4-[2-(2-pyridinyl)-1H-indol-3-yl]butyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[4-[2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCC2=C(NC3=CC=CC=C32)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCC2=C(NC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C27H25N3O5/c1-34-26(32)17-13-14-20(27(33)35-2)23(16-17)29-24(31)12-7-9-19-18-8-3-4-10-21(18)30-25(19)22-11-5-6-15-28-22/h3-6,8,10-11,13-16,30H,7,9,12H2,1-2H3,(H,29,31)