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

Systemtic Name: ethyl 4-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Openeye Name: ethyl 4-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoate CAS Name: 4-[[4-[5-chloro-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Traditional Name: 4-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzoic acid ethyl ester Formula: C26H24ClN3O3 MolecularWeight: 461.94006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN3O3/c1-2-33-26(32)17-9-12-19(13-10-17)29-24(31)8-5-6-20-21-16-18(27)11-14-22(21)30-25(20)23-7-3-4-15-28-23/h3-4,7,9-16,30H,2,5-6,8H2,1H3,(H,29,31)