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

Systemtic Name: 3-[(4-acetamidophenyl)methyl-[(4-cyanophenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-acetamidophenyl)methyl-[(4-cyanophenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-acetamidophenyl)methyl-[(4-cyanophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-acetamidophenyl)methyl-[(4-cyanophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-acetamidobenzyl)-(4-cyanobenzyl)amino]propionic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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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)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H21N3O3/c1-15(24)22-19-8-6-18(7-9-19)14-23(11-10-20(25)26)13-17-4-2-16(12-21)3-5-17/h2-9H,10-11,13-14H2,1H3,(H,22,24)(H,25,26)