N-(3-butan-2-yloxy-2-pyrrolidin-1-yl-propyl)-N-(phenylmethyl)-1,3-benzodioxol-5-amine; (E)-but-2-enedioic acid

Systemtic Name: N-(3-butan-2-yloxy-2-pyrrolidin-1-yl-propyl)-N-(phenylmethyl)-1,3-benzodioxol-5-amine; (E)-but-2-enedioic acid Openeye Name: N-benzyl-N-(2-pyrrolidin-1-yl-3-sec-butoxy-propyl)-1,3-benzodioxol-5-amine; fumaric acid CAS Name: N-[3-butan-2-yloxy-2-(1-pyrrolidinyl)propyl]-N-(phenylmethyl)-1,3-benzodioxol-5-amine; (E)-2-butenedioic acid IUPAC Name: N-benzyl-N-(3-butan-2-yloxy-2-pyrrolidin-1-ylpropyl)-1,3-benzodioxol-5-amine; (E)-but-2-enedioic acid Traditional Name: 1,3-benzodioxol-5-yl-benzyl-(2-pyrrolidino-3-sec-butoxy-propyl)amine; fumaric acid Formula: C29H38N2O7 MolecularWeight: 526.62122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OCC(CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)N4CCCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(C)OCC(CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)N4CCCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H34N2O3.C4H4O4/c1-3-20(2)28-18-23(26-13-7-8-14-26)17-27(16-21-9-5-4-6-10-21)22-11-12-24-25(15-22)30-19-29-24;5-3(6)1-2-4(7)8/h4-6,9-12,15,20,23H,3,7-8,13-14,16-19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+