(3-butyl-7-methoxy-2-oxidanyl-4-oxidanylidene-quinolin-1-yl)methyl 2-phenylbenzoate

Systemtic Name: (3-butyl-7-methoxy-2-oxidanyl-4-oxidanylidene-quinolin-1-yl)methyl 2-phenylbenzoate Openeye Name: (3-butyl-2-hydroxy-7-methoxy-4-oxo-1-quinolyl)methyl 2-phenylbenzoate CAS Name: 2-phenylbenzoic acid (3-butyl-2-hydroxy-7-methoxy-4-oxo-1-quinolinyl)methyl ester IUPAC Name: (3-butyl-2-hydroxy-7-methoxy-4-oxoquinolin-1-yl)methyl 2-phenylbenzoate Traditional Name: 2-phenylbenzoic acid (3-butyl-2-hydroxy-4-keto-7-methoxy-1-quinolyl)methyl ester Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=C(C1=O)C=CC(=C2)OC)COC(=O)C3=CC=CC=C3C4=CC=CC=C4)O

Isomeric SMILES

CCCCC1=C(N(C2=C(C1=O)C=CC(=C2)OC)COC(=O)C3=CC=CC=C3C4=CC=CC=C4)O

InChI

InChI=1S/C28H27NO5/c1-3-4-12-24-26(30)23-16-15-20(33-2)17-25(23)29(27(24)31)18-34-28(32)22-14-9-8-13-21(22)19-10-6-5-7-11-19/h5-11,13-17,31H,3-4,12,18H2,1-2H3