N-(1,3-benzodioxol-5-ylmethyl)-1-(diphenylmethyl)piperidin-4-amine; (E)-but-2-enedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(diphenylmethyl)piperidin-4-amine; (E)-but-2-enedioic acid Openeye Name: 1-benzhydryl-N-(1,3-benzodioxol-5-ylmethyl)piperidin-4-amine; fumaric acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(diphenylmethyl)-4-piperidinamine; (E)-2-butenedioic acid IUPAC Name: 1-benzhydryl-N-(1,3-benzodioxol-5-ylmethyl)piperidin-4-amine; (E)-but-2-enedioic acid Traditional Name: (1-benzhydryl-4-piperidyl)-piperonyl-amine; fumaric acid Formula: C30H32N2O6 MolecularWeight: 516.58488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CC3=C(C=C2)OCO3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1NCC2=CC3=C(C=C2)OCO3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H28N2O2.C4H4O4/c1-3-7-21(8-4-1)26(22-9-5-2-6-10-22)28-15-13-23(14-16-28)27-18-20-11-12-24-25(17-20)30-19-29-24;5-3(6)1-2-4(7)8/h1-12,17,23,26-27H,13-16,18-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+