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

Systemtic Name: methyl 2-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Openeye Name: methyl 2-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoate CAS Name: 2-[[4-[5-chloro-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Traditional Name: 2-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoic acid methyl ester Formula: C25H22ClN3O3 MolecularWeight: 447.91348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O3/c1-32-25(31)18-7-2-3-9-20(18)28-23(30)11-6-8-17-19-15-16(26)12-13-21(19)29-24(17)22-10-4-5-14-27-22/h2-5,7,9-10,12-15,29H,6,8,11H2,1H3,(H,28,30)