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

Systemtic Name: (4-propan-2-ylphenyl) 4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate Openeye Name: (4-isopropylphenyl) 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 (4-propan-2-ylphenyl) ester IUPAC Name: (4-propan-2-ylphenyl) 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 p-cumenyl ester Formula: C26H25ClN2O2 MolecularWeight: 432.9419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN2O2/c1-17(2)18-9-12-20(13-10-18)31-25(30)8-5-6-21-22-16-19(27)11-14-23(22)29-26(21)24-7-3-4-15-28-24/h3-4,7,9-17,29H,5-6,8H2,1-2H3