3-[(4-cyanophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-cyanophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-cyanophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-cyanophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-cyanophenyl)methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-cyanobenzyl)-(2,4,6-trimethylbenzyl)amino]propionic acid Formula: C21H24N2O2 MolecularWeight: 336.42746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CN(CCC(=O)O)CC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CN(CCC(=O)O)CC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C21H24N2O2/c1-15-10-16(2)20(17(3)11-15)14-23(9-8-21(24)25)13-19-6-4-18(12-22)5-7-19/h4-7,10-11H,8-9,13-14H2,1-3H3,(H,24,25)