5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]benzoic acid; phenylmethanamine

Systemtic Name: 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]benzoic acid; phenylmethanamine Openeye Name: 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]benzoic acid; phenylmethanamine CAS Name: 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]benzoic acid; phenylmethanamine IUPAC Name: 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]benzoic acid; phenylmethanamine Traditional Name: benzylamine; 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-(4-ethylphenyl)methyl]benzoic acid Formula: C33H39N3O2 MolecularWeight: 509.68166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)N(C)C)C(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(C=C(C=C3)N(C)C)C(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C26H30N2O2.C7H9N/c1-6-18-7-9-19(10-8-18)25(20-11-13-21(14-12-20)27(2)3)23-16-15-22(28(4)5)17-24(23)26(29)30;8-6-7-4-2-1-3-5-7/h7-17,25H,6H2,1-5H3,(H,29,30);1-5H,6,8H2