3-[(3-cyanophenyl)methyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(3-cyanophenyl)methyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-benzyloxy-3-methoxy-phenyl)methyl-[(3-cyanophenyl)methyl]amino]propanoic acid CAS Name: 3-[(3-cyanophenyl)methyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(3-cyanophenyl)methyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-benzoxy-3-methoxy-benzyl)-(3-cyanobenzyl)amino]propionic acid Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(CCC(=O)O)CC2=CC=CC(=C2)C#N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CN(CCC(=O)O)CC2=CC=CC(=C2)C#N)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4/c1-31-25-15-23(10-11-24(25)32-19-20-6-3-2-4-7-20)18-28(13-12-26(29)30)17-22-9-5-8-21(14-22)16-27/h2-11,14-15H,12-13,17-19H2,1H3,(H,29,30)