3-[(3-phenoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid

Systemtic Name: 3-[(3-phenoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Openeye Name: 3-[(3-phenoxyphenyl)methyl-(4-pyridylmethyl)amino]propanoic acid CAS Name: 3-[(3-phenoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid IUPAC Name: 3-[(3-phenoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]propanoic acid Traditional Name: 3-[(3-phenoxybenzyl)-(4-pyridylmethyl)amino]propionic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN(CCC(=O)O)CC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CN(CCC(=O)O)CC3=CC=NC=C3

InChI

InChI=1S/C22H22N2O3/c25-22(26)11-14-24(16-18-9-12-23-13-10-18)17-19-5-4-8-21(15-19)27-20-6-2-1-3-7-20/h1-10,12-13,15H,11,14,16-17H2,(H,25,26)