2-[2-[(3-methoxyphenyl)-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)methyl]-1H-indol-3-yl]ethyl 3,3-dimethylbutanoate

Systemtic Name: 2-[2-[(3-methoxyphenyl)-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)methyl]-1H-indol-3-yl]ethyl 3,3-dimethylbutanoate Openeye Name: 2-[2-[(2-hydroxy-1-methyl-4-oxo-3-quinolyl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid 2-[2-[(2-hydroxy-1-methyl-4-oxo-3-quinolinyl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl ester IUPAC Name: 2-[2-[(2-hydroxy-1-methyl-4-oxoquinolin-3-yl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid 2-[2-[(2-hydroxy-4-keto-1-methyl-3-quinolyl)-(3-methoxyphenyl)methyl]-1H-indol-3-yl]ethyl ester Formula: C34H36N2O5 MolecularWeight: 552.66004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCCC1=C(NC2=CC=CC=C21)C(C3=CC(=CC=C3)OC)C4=C(N(C5=CC=CC=C5C4=O)C)O

Isomeric SMILES

CC(C)(C)CC(=O)OCCC1=C(NC2=CC=CC=C21)C(C3=CC(=CC=C3)OC)C4=C(N(C5=CC=CC=C5C4=O)C)O

InChI

InChI=1S/C34H36N2O5/c1-34(2,3)20-28(37)41-18-17-24-23-13-6-8-15-26(23)35-31(24)29(21-11-10-12-22(19-21)40-5)30-32(38)25-14-7-9-16-27(25)36(4)33(30)39/h6-16,19,29,35,39H,17-18,20H2,1-5H3