2-methylpropyl 4-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Openeye Name: isobutyl 4-[4-[2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoate CAS Name: 4-[[1-oxo-4-[2-(2-pyridinyl)-1H-indol-3-yl]butyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Traditional Name: 4-[4-[2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoic acid isobutyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3/c1-19(2)18-34-28(33)20-13-15-21(16-14-20)30-26(32)12-7-9-23-22-8-3-4-10-24(22)31-27(23)25-11-5-6-17-29-25/h3-6,8,10-11,13-17,19,31H,7,9,12,18H2,1-2H3,(H,30,32)