methyl 4,5-dimethoxy-2-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[4-[2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-4-[2-(2-pyridinyl)-1H-indol-3-yl]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[4-[2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoic acid methyl ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCCC2=C(NC3=CC=CC=C32)C4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCCC2=C(NC3=CC=CC=C32)C4=CC=CC=N4)OC

InChI

InChI=1S/C27H27N3O5/c1-33-23-15-19(27(32)35-3)22(16-24(23)34-2)29-25(31)13-8-10-18-17-9-4-5-11-20(17)30-26(18)21-12-6-7-14-28-21/h4-7,9,11-12,14-16,30H,8,10,13H2,1-3H3,(H,29,31)