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

Systemtic Name: ethyl 2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Openeye Name: ethyl 2-[4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoate CAS Name: 2-[[4-[5-methyl-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Traditional Name: 2-[4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoic acid ethyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CCCC2=C(NC3=C2C=C(C=C3)C)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CCCC2=C(NC3=C2C=C(C=C3)C)C4=CC=CC=N4

InChI

InChI=1S/C27H27N3O3/c1-3-33-27(32)20-9-4-5-11-22(20)29-25(31)13-8-10-19-21-17-18(2)14-15-23(21)30-26(19)24-12-6-7-16-28-24/h4-7,9,11-12,14-17,30H,3,8,10,13H2,1-2H3,(H,29,31)