2-[2-[[(phenylmethyl)amino]methyl]phenyl]butanoate

Systemtic Name: 2-[2-[[(phenylmethyl)amino]methyl]phenyl]butanoate Openeye Name: 2-[2-[(benzylamino)methyl]phenyl]butanoate CAS Name: 2-[2-[[(phenylmethyl)amino]methyl]phenyl]butanoate IUPAC Name: 2-[2-[(benzylamino)methyl]phenyl]butanoate Traditional Name: 2-[2-[(benzylamino)methyl]phenyl]butyrate Formula: C18H20NO2- MolecularWeight: 282.3569

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1CNCC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1CNCC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H21NO2/c1-2-16(18(20)21)17-11-7-6-10-15(17)13-19-12-14-8-4-3-5-9-14/h3-11,16,19H,2,12-13H2,1H3,(H,20,21)/p-1