4-[[cyanomethyl(naphthalen-2-ylmethyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[cyanomethyl(naphthalen-2-ylmethyl)amino]methyl]benzoic acid Openeye Name: 4-[[cyanomethyl(2-naphthylmethyl)amino]methyl]benzoic acid CAS Name: 4-[[cyanomethyl(2-naphthalenylmethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[cyanomethyl(naphthalen-2-ylmethyl)amino]methyl]benzoic acid Traditional Name: 4-[[cyanomethyl(2-naphthylmethyl)amino]methyl]benzoic acid Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN(CC#N)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN(CC#N)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H18N2O2/c22-11-12-23(14-16-5-9-19(10-6-16)21(24)25)15-17-7-8-18-3-1-2-4-20(18)13-17/h1-10,13H,12,14-15H2,(H,24,25)