4-[[(4-carboxyphenyl)methyl-(phenylmethyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-carboxyphenyl)methyl-(phenylmethyl)amino]methyl]benzoic acid Openeye Name: 4-[[benzyl-[(4-carboxyphenyl)methyl]amino]methyl]benzoic acid CAS Name: 4-[[(4-carboxyphenyl)methyl-(phenylmethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[benzyl-[(4-carboxyphenyl)methyl]amino]methyl]benzoic acid Traditional Name: 4-[[benzyl-(4-carboxybenzyl)amino]methyl]benzoic acid Formula: C23H21NO4 MolecularWeight: 375.41714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H21NO4/c25-22(26)20-10-6-18(7-11-20)15-24(14-17-4-2-1-3-5-17)16-19-8-12-21(13-9-19)23(27)28/h1-13H,14-16H2,(H,25,26)(H,27,28)