(E)-but-2-enedioic acid; 2-(diethylaminomethyl)-3-(3-methylbutoxy)-1,1-diphenyl-propan-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 2-(diethylaminomethyl)-3-(3-methylbutoxy)-1,1-diphenyl-propan-1-ol Openeye Name: 2-(diethylaminomethyl)-3-isopentyloxy-1,1-diphenyl-propan-1-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(diethylaminomethyl)-3-(3-methylbutoxy)-1,1-diphenyl-1-propanol IUPAC Name: (E)-but-2-enedioic acid; 2-(diethylaminomethyl)-3-(3-methylbutoxy)-1,1-diphenylpropan-1-ol Traditional Name: 2-(diethylaminomethyl)-3-isoamoxy-1,1-diphenyl-propan-1-ol; fumaric acid Formula: C29H41NO6 MolecularWeight: 499.63894

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COCCC(C)C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CC(COCCC(C)C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H37NO2.C4H4O4/c1-5-26(6-2)19-24(20-28-18-17-21(3)4)25(27,22-13-9-7-10-14-22)23-15-11-8-12-16-23;5-3(6)1-2-4(7)8/h7-16,21,24,27H,5-6,17-20H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+