2-[3-[[(4-butylphenyl)methylamino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-butylphenyl)methylamino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-butylphenyl)methylamino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-butylphenyl)methylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-butylphenyl)methylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-butylbenzyl)amino]methyl]phenyl]acetic acid Formula: C20H25NO2 MolecularWeight: 311.418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CNCC2=CC=CC(=C2)CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)CNCC2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C20H25NO2/c1-2-3-5-16-8-10-17(11-9-16)14-21-15-19-7-4-6-18(12-19)13-20(22)23/h4,6-12,21H,2-3,5,13-15H2,1H3,(H,22,23)