3-[(4-methoxyphenyl)-(8-oxidanylquinolin-7-yl)methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-[(4-methoxyphenyl)-(8-oxidanylquinolin-7-yl)methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-3-[(8-hydroxy-7-quinolyl)-(4-methoxyphenyl)methyl]-6-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 2-hydroxy-3-[(8-hydroxy-7-quinolinyl)-(4-methoxyphenyl)methyl]-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-hydroxy-3-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-3-[(8-hydroxy-7-quinolyl)-(4-methoxyphenyl)methyl]-6-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C4=C(C=CC=N4)C=C3)O)O

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C4=C(C=CC=N4)C=C3)O)O

InChI

InChI=1S/C27H25NO4/c1-16(2)19-9-13-21(26(30)23(29)15-19)24(17-6-10-20(32-3)11-7-17)22-12-8-18-5-4-14-28-25(18)27(22)31/h4-16,24,31H,1-3H3,(H,29,30)