3-[[(3-carboxyphenyl)methyl-(phenylmethyl)amino]methyl]benzoic acid

Systemtic Name: 3-[[(3-carboxyphenyl)methyl-(phenylmethyl)amino]methyl]benzoic acid Openeye Name: 3-[[benzyl-[(3-carboxyphenyl)methyl]amino]methyl]benzoic acid CAS Name: 3-[[(3-carboxyphenyl)methyl-(phenylmethyl)amino]methyl]benzoic acid IUPAC Name: 3-[[benzyl-[(3-carboxyphenyl)methyl]amino]methyl]benzoic acid Traditional Name: 3-[[benzyl-(3-carboxybenzyl)amino]methyl]benzoic acid Formula: C23H21NO4 MolecularWeight: 375.41714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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