pyridin-3-yl 4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate

Systemtic Name: pyridin-3-yl 4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate Openeye Name: 3-pyridyl 4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoate CAS Name: 4-[5-chloro-2-(2-pyridinyl)-1H-indol-3-yl]butanoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate Traditional Name: 4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butyric acid 3-pyridyl ester Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C(C3=C(N2)C=CC(=C3)Cl)CCCC(=O)OC4=CN=CC=C4

Isomeric SMILES

C1=CC=NC(=C1)C2=C(C3=C(N2)C=CC(=C3)Cl)CCCC(=O)OC4=CN=CC=C4

InChI

InChI=1S/C22H18ClN3O2/c23-15-9-10-19-18(13-15)17(22(26-19)20-7-1-2-12-25-20)6-3-8-21(27)28-16-5-4-11-24-14-16/h1-2,4-5,7,9-14,26H,3,6,8H2