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

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-(2-pyridin-2-yl-1H-indol-3-yl)butanoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-[2-(2-pyridyl)-1H-indol-3-yl]butanoate CAS Name: 4-[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-(2-pyridin-2-yl-1H-indol-3-yl)butanoate Traditional Name: 4-[2-(2-pyridyl)-1H-indol-3-yl]butyric acid (2-isopropyl-5-methyl-phenyl) ester Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)CCCC2=C(NC3=CC=CC=C32)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)CCCC2=C(NC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C27H28N2O2/c1-18(2)20-15-14-19(3)17-25(20)31-26(30)13-8-10-22-21-9-4-5-11-23(21)29-27(22)24-12-6-7-16-28-24/h4-7,9,11-12,14-18,29H,8,10,13H2,1-3H3