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

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-(2-quinolin-2-yl-1H-indol-3-yl)butanoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-[2-(2-quinolyl)-1H-indol-3-yl]butanoate CAS Name: 4-[2-(2-quinolinyl)-1H-indol-3-yl]butanoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 4-(2-quinolin-2-yl-1H-indol-3-yl)butanoate Traditional Name: 4-[2-(2-quinolyl)-1H-indol-3-yl]butyric acid (2-isopropyl-5-methyl-phenyl) ester Formula: C31H30N2O2 MolecularWeight: 462.5821

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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=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)CCCC2=C(NC3=CC=CC=C32)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H30N2O2/c1-20(2)23-17-15-21(3)19-29(23)35-30(34)14-8-11-25-24-10-5-7-13-27(24)33-31(25)28-18-16-22-9-4-6-12-26(22)32-28/h4-7,9-10,12-13,15-20,33H,8,11,14H2,1-3H3