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

Systemtic Name: 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]benzoic acid; (4-ethylphenyl)methanamine Openeye Name: 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]benzoic acid; (4-ethylphenyl)methanamine CAS Name: 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenylmethyl]benzoic acid; (4-ethylphenyl)methanamine IUPAC Name: 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenylmethyl]benzoic acid; (4-ethylphenyl)methanamine Traditional Name: 5-(dimethylamino)-2-[(4-dimethylaminophenyl)-phenyl-methyl]benzoic acid; (4-ethylbenzyl)amine Formula: C33H39N3O2 MolecularWeight: 509.68166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2.C9H13N/c1-25(2)19-12-10-18(11-13-19)23(17-8-6-5-7-9-17)21-15-14-20(26(3)4)16-22(21)24(27)28;1-2-8-3-5-9(7-10)6-4-8/h5-16,23H,1-4H3,(H,27,28);3-6H,2,7,10H2,1H3