methyl 2-[4-(2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]benzoate

Systemtic Name: methyl 2-[4-(2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Openeye Name: methyl 2-[4-[2-(2-quinolyl)-1H-indol-3-yl]butanoylamino]benzoate CAS Name: 2-[[1-oxo-4-[2-(2-quinolinyl)-1H-indol-3-yl]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Traditional Name: 2-[4-[2-(2-quinolyl)-1H-indol-3-yl]butanoylamino]benzoic acid methyl ester Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCCC2=C(NC3=CC=CC=C32)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCCC2=C(NC3=CC=CC=C32)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H25N3O3/c1-35-29(34)22-11-4-7-15-25(22)31-27(33)16-8-12-21-20-10-3-6-14-24(20)32-28(21)26-18-17-19-9-2-5-13-23(19)30-26/h2-7,9-11,13-15,17-18,32H,8,12,16H2,1H3,(H,31,33)