(E)-but-2-enedioic acid; 3,3-diphenyl-N-(1-propan-2-yloxypropan-2-yl)propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3,3-diphenyl-N-(1-propan-2-yloxypropan-2-yl)propan-1-amine Openeye Name: fumaric acid; N-(2-isopropoxy-1-methyl-ethyl)-3,3-diphenyl-propan-1-amine CAS Name: (E)-2-butenedioic acid; 3,3-diphenyl-N-(1-propan-2-yloxypropan-2-yl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3,3-diphenyl-N-(1-propan-2-yloxypropan-2-yl)propan-1-amine Traditional Name: 3,3-diphenylpropyl-(2-isopropoxy-1-methyl-ethyl)amine; fumaric acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(C)NCCC(C1=CC=CC=C1)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)OCC(C)NCCC(C1=CC=CC=C1)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H29NO.C4H4O4/c1-17(2)23-16-18(3)22-15-14-21(19-10-6-4-7-11-19)20-12-8-5-9-13-20;5-3(6)1-2-4(7)8/h4-13,17-18,21-22H,14-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+