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4-[[butyl(quinolin-2-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid

4-[[butyl(quinolin-2-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid

Systemtic Name:4-[[butyl(quinolin-2-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid
Openeye Name:4-[[butyl(2-quinolyl)amino]methyl]-2-(o-tolyl)benzoic acid
CAS Name:4-[[butyl(2-quinolinyl)amino]methyl]-2-(2-methylphenyl)benzoic acid
IUPAC Name:4-[[butyl(quinolin-2-yl)amino]methyl]-2-(2-methylphenyl)benzoic acid
Traditional Name:4-[[butyl(2-quinolyl)amino]methyl]-2-(o-tolyl)benzoic acid
Formula: C28H28N2O2
MolecularWeight: 424.53412
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC(=C(C=C1)C(=O)O)C2=CC=CC=C2C)C3=NC4=CC=CC=C4C=C3


Isomeric SMILES

CCCCN(CC1=CC(=C(C=C1)C(=O)O)C2=CC=CC=C2C)C3=NC4=CC=CC=C4C=C3


InChI

InChI=1S/C28H28N2O2/c1-3-4-17-30(27-16-14-22-10-6-8-12-26(22)29-27)19-21-13-15-24(28(31)32)25(18-21)23-11-7-5-9-20(23)2/h5-16,18H,3-4,17,19H2,1-2H3,(H,31,32)


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