methyl 2-[4-[[3-butyl-2-(hydroxymethyl)quinolin-4-yl]oxymethyl]phenyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=C1CO)OCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=C1CO)OCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC

InChI

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