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

Systemtic Name: 3-[(4-acetamidophenyl)methyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-acetamidophenyl)methyl-[(4-benzyloxy-3-methoxy-phenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-acetamidophenyl)methyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-acetamidophenyl)methyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-acetamidobenzyl)-(4-benzoxy-3-methoxy-benzyl)amino]propionic acid Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C27H30N2O5/c1-20(30)28-24-11-8-21(9-12-24)17-29(15-14-27(31)32)18-23-10-13-25(26(16-23)33-2)34-19-22-6-4-3-5-7-22/h3-13,16H,14-15,17-19H2,1-2H3,(H,28,30)(H,31,32)