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

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 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 (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-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 (2-isopropyl-5-methyl-phenyl) ester Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C27H27ClN2O2/c1-17(2)20-12-10-18(3)15-25(20)32-26(31)9-6-7-21-22-16-19(28)11-13-23(22)30-27(21)24-8-4-5-14-29-24/h4-5,8,10-17,30H,6-7,9H2,1-3H3