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

Systemtic Name: 3-[(4-cyanophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-cyanophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-cyanophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-cyanophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-cyanobenzyl)-(3-phenoxybenzyl)amino]propionic acid Formula: C24H22N2O3 MolecularWeight: 386.44308

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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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O3/c25-16-19-9-11-20(12-10-19)17-26(14-13-24(27)28)18-21-5-4-8-23(15-21)29-22-6-2-1-3-7-22/h1-12,15H,13-14,17-18H2,(H,27,28)