4-[3-[(4-tert-butylphenyl)methyl-methyl-amino]prop-1-en-2-yl]benzoic acid

Systemtic Name: 4-[3-[(4-tert-butylphenyl)methyl-methyl-amino]prop-1-en-2-yl]benzoic acid Openeye Name: 4-[1-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]vinyl]benzoic acid CAS Name: 4-[3-[(4-tert-butylphenyl)methyl-methylamino]prop-1-en-2-yl]benzoic acid IUPAC Name: 4-[3-[(4-tert-butylphenyl)methyl-methylamino]prop-1-en-2-yl]benzoic acid Traditional Name: 4-[1-[[(4-tert-butylbenzyl)-methyl-amino]methyl]vinyl]benzoic acid Formula: C22H27NO2 MolecularWeight: 337.45528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)CC(=C)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)CC(=C)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H27NO2/c1-16(18-8-10-19(11-9-18)21(24)25)14-23(5)15-17-6-12-20(13-7-17)22(2,3)4/h6-13H,1,14-15H2,2-5H3,(H,24,25)