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

Systemtic Name: 4-[[(phenylmethyl)-[3-(quinolin-2-ylmethoxy)phenyl]amino]methyl]benzoic acid Openeye Name: 4-[[N-benzyl-3-(2-quinolylmethoxy)anilino]methyl]benzoic acid CAS Name: 4-[[N-(phenylmethyl)-3-(2-quinolinylmethoxy)anilino]methyl]benzoic acid IUPAC Name: 4-[[N-benzyl-3-(quinolin-2-ylmethoxy)anilino]methyl]benzoic acid Traditional Name: 4-[[N-benzyl-3-(2-quinolylmethoxy)anilino]methyl]benzoic acid Formula: C31H26N2O3 MolecularWeight: 474.54974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)C3=CC(=CC=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H26N2O3/c34-31(35)26-15-13-24(14-16-26)21-33(20-23-7-2-1-3-8-23)28-10-6-11-29(19-28)36-22-27-18-17-25-9-4-5-12-30(25)32-27/h1-19H,20-22H2,(H,34,35)