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

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-[(4-cyanophenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-tert-butylphenyl)methyl-[(4-cyanophenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-[(4-cyanophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-tert-butylphenyl)methyl-[(4-cyanophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-tert-butylbenzyl)-(4-cyanobenzyl)amino]propionic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2/c1-22(2,3)20-10-8-19(9-11-20)16-24(13-12-21(25)26)15-18-6-4-17(14-23)5-7-18/h4-11H,12-13,15-16H2,1-3H3,(H,25,26)