1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(1-cyclohexenyl)ethylamino]-2-propanol; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[2-(cyclohexen-1-yl)ethylamino]propan-2-ol; oxalic acid Traditional Name: 1-[2-(cyclohexen-1-yl)ethylamino]-3-piperonyloxy-propan-2-ol; oxalic acid Formula: C21H29NO8 MolecularWeight: 423.45686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNCC(COCC2=CC3=C(C=C2)OCO3)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(=CC1)CCNCC(COCC2=CC3=C(C=C2)OCO3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27NO4.C2H2O4/c21-17(11-20-9-8-15-4-2-1-3-5-15)13-22-12-16-6-7-18-19(10-16)24-14-23-18;3-1(4)2(5)6/h4,6-7,10,17,20-21H,1-3,5,8-9,11-14H2;(H,3,4)(H,5,6)