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

Systemtic Name: 2-methylpropyl 4-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C28H28ClN3O3 MolecularWeight: 489.99322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN3O3/c1-18(2)17-35-28(34)19-9-12-21(13-10-19)31-26(33)8-5-6-22-23-16-20(29)11-14-24(23)32-27(22)25-7-3-4-15-30-25/h3-4,7,9-16,18,32H,5-6,8,17H2,1-2H3,(H,31,33)