4-[3-[[2-phenylethanoyl-(phenylmethyl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 4-[3-[[2-phenylethanoyl-(phenylmethyl)amino]methyl]phenyl]benzoic acid Openeye Name: 4-[3-[[benzyl-(2-phenylacetyl)amino]methyl]phenyl]benzoic acid CAS Name: 4-[3-[[(1-oxo-2-phenylethyl)-(phenylmethyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 4-[3-[[benzyl-(2-phenylacetyl)amino]methyl]phenyl]benzoic acid Traditional Name: 4-[3-[[benzyl-(2-phenylacetyl)amino]methyl]phenyl]benzoic acid Formula: C29H25NO3 MolecularWeight: 435.5137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H25NO3/c31-28(19-22-8-3-1-4-9-22)30(20-23-10-5-2-6-11-23)21-24-12-7-13-27(18-24)25-14-16-26(17-15-25)29(32)33/h1-18H,19-21H2,(H,32,33)