4-[1-(dimethylamino)-2-(dimethylaminomethyl)-3-ethyl-6-phenyl-hexan-2-yl]oxybenzoic acid

Systemtic Name: 4-[1-(dimethylamino)-2-(dimethylaminomethyl)-3-ethyl-6-phenyl-hexan-2-yl]oxybenzoic acid Openeye Name: 4-[1,1-bis(dimethylaminomethyl)-2-ethyl-5-phenyl-pentoxy]benzoic acid CAS Name: 4-[1-(dimethylamino)-2-(dimethylaminomethyl)-3-ethyl-6-phenylhexan-2-yl]oxybenzoic acid IUPAC Name: 4-[1-(dimethylamino)-2-(dimethylaminomethyl)-3-ethyl-6-phenylhexan-2-yl]oxybenzoic acid Traditional Name: 4-[1,1-bis(dimethylaminomethyl)-2-ethyl-5-phenyl-pentoxy]benzoic acid Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC1=CC=CC=C1)C(CN(C)C)(CN(C)C)OC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(CCCC1=CC=CC=C1)C(CN(C)C)(CN(C)C)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C26H38N2O3/c1-6-23(14-10-13-21-11-8-7-9-12-21)26(19-27(2)3,20-28(4)5)31-24-17-15-22(16-18-24)25(29)30/h7-9,11-12,15-18,23H,6,10,13-14,19-20H2,1-5H3,(H,29,30)