2-[3-phenylpropyl(pyridin-4-ylmethyl)amino]benzoic acid

Systemtic Name: 2-[3-phenylpropyl(pyridin-4-ylmethyl)amino]benzoic acid Openeye Name: 2-[3-phenylpropyl(4-pyridylmethyl)amino]benzoic acid CAS Name: 2-[3-phenylpropyl(pyridin-4-ylmethyl)amino]benzoic acid IUPAC Name: 2-[3-phenylpropyl(pyridin-4-ylmethyl)amino]benzoic acid Traditional Name: 2-[3-phenylpropyl(4-pyridylmethyl)amino]benzoic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CC2=CC=NC=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CC2=CC=NC=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H22N2O2/c25-22(26)20-10-4-5-11-21(20)24(17-19-12-14-23-15-13-19)16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-15H,6,9,16-17H2,(H,25,26)