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

Systemtic Name: methyl 4,5-dimethoxy-2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[4-[5-methyl-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoic acid methyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC)C4=CC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC)C4=CC=CC=N4

InChI

InChI=1S/C28H29N3O5/c1-17-11-12-21-19(14-17)18(27(31-21)22-9-5-6-13-29-22)8-7-10-26(32)30-23-16-25(35-3)24(34-2)15-20(23)28(33)36-4/h5-6,9,11-16,31H,7-8,10H2,1-4H3,(H,30,32)