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

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

Systemtic Name:4-[[butyl(phenethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid
Openeye Name:4-[[butyl(phenethyl)amino]methyl]-2-(o-tolyl)benzoic acid
CAS Name:4-[[butyl(phenethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid
IUPAC Name:4-[[butyl(phenethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid
Traditional Name:4-[[butyl(phenethyl)amino]methyl]-2-(o-tolyl)benzoic acid
Formula: C27H31NO2
MolecularWeight: 401.54054
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC1=CC=CC=C1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C


Isomeric SMILES

CCCCN(CCC1=CC=CC=C1)CC2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C


InChI

InChI=1S/C27H31NO2/c1-3-4-17-28(18-16-22-11-6-5-7-12-22)20-23-14-15-25(27(29)30)26(19-23)24-13-9-8-10-21(24)2/h5-15,19H,3-4,16-18,20H2,1-2H3,(H,29,30)


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