(Z)-but-2-enedioic acid; [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate

Systemtic Name: (Z)-but-2-enedioic acid; [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate; maleic acid CAS Name: (Z)-2-butenedioic acid; 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester IUPAC Name: (Z)-but-2-enedioic acid; [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate Traditional Name: maleic acid; 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenyl-butyl] ester Formula: C26H33NO9 MolecularWeight: 503.54152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1-