dimethyl 5-[4-(1H-indol-3-yl)butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-(1H-indol-3-yl)butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[4-(1H-indol-3-yl)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(1H-indol-3-yl)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[4-(1H-indol-3-yl)butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCCC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCCC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C22H22N2O5/c1-28-21(26)15-10-16(22(27)29-2)12-17(11-15)24-20(25)9-5-6-14-13-23-19-8-4-3-7-18(14)19/h3-4,7-8,10-13,23H,5-6,9H2,1-2H3,(H,24,25)