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

Systemtic Name: methyl 4-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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