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

Systemtic Name: methyl 4-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyloxy]benzoate Openeye Name: methyl 4-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoyloxy]benzoate CAS Name: 4-[4-[5-chloro-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyloxy]benzoate Traditional Name: 4-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoyloxy]benzoic acid methyl ester Formula: C25H21ClN2O4 MolecularWeight: 448.89824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN2O4/c1-31-25(30)16-8-11-18(12-9-16)32-23(29)7-4-5-19-20-15-17(26)10-13-21(20)28-24(19)22-6-2-3-14-27-22/h2-3,6,8-15,28H,4-5,7H2,1H3