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

Systemtic Name: ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Openeye Name: ethyl 4-[4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoate CAS Name: 4-[[4-[5-methyl-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Traditional Name: 4-[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=C(C=C1)NC(=O)CCCC2=C(NC3=C2C=C(C=C3)C)C4=CC=CC=N4

Isomeric SMILES

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

InChI

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