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

Systemtic Name: 2-[3-[[(4-pentylphenyl)methylamino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-pentylphenyl)methylamino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-pentylphenyl)methylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-pentylphenyl)methylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-amylbenzyl)amino]methyl]phenyl]acetic acid Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CNCC2=CC=CC(=C2)CC(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CNCC2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C21H27NO2/c1-2-3-4-6-17-9-11-18(12-10-17)15-22-16-20-8-5-7-19(13-20)14-21(23)24/h5,7-13,22H,2-4,6,14-16H2,1H3,(H,23,24)