methyl 2-[4-[[3-butyl-7-(hydroxymethyl)-4-oxidanylidene-quinolin-1-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[3-butyl-7-(hydroxymethyl)-4-oxidanylidene-quinolin-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[3-butyl-7-(hydroxymethyl)-4-oxo-1-quinolyl]methyl]phenyl]benzoate CAS Name: 2-[4-[[3-butyl-7-(hydroxymethyl)-4-oxo-1-quinolinyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[3-butyl-7-(hydroxymethyl)-4-oxoquinolin-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-4-keto-7-methylol-1-quinolyl)methyl]phenyl]benzoic acid methyl ester Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)C=CC(=C2)CO)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)C=CC(=C2)CO)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C29H29NO4/c1-3-4-7-23-18-30(27-16-21(19-31)12-15-26(27)28(23)32)17-20-10-13-22(14-11-20)24-8-5-6-9-25(24)29(33)34-2/h5-6,8-16,18,31H,3-4,7,17,19H2,1-2H3