(E)-but-2-enedioic acid; N-[1-(4-tert-butylphenoxy)propan-2-yl]-3,3-diphenyl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[1-(4-tert-butylphenoxy)propan-2-yl]-3,3-diphenyl-propan-1-amine Openeye Name: N-[2-(4-tert-butylphenoxy)-1-methyl-ethyl]-3,3-diphenyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[1-(4-tert-butylphenoxy)propan-2-yl]-3,3-diphenyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N-[1-(4-tert-butylphenoxy)propan-2-yl]-3,3-diphenylpropan-1-amine Traditional Name: [2-(4-tert-butylphenoxy)-1-methyl-ethyl]-(3,3-diphenylpropyl)amine; fumaric acid Formula: C32H39NO5 MolecularWeight: 517.65576

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)C(C)(C)C)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(COC1=CC=C(C=C1)C(C)(C)C)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C28H35NO.C4H4O4/c1-22(21-30-26-17-15-25(16-18-26)28(2,3)4)29-20-19-27(23-11-7-5-8-12-23)24-13-9-6-10-14-24;5-3(6)1-2-4(7)8/h5-18,22,27,29H,19-21H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+