3-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-diethylaminoethylamino)-2-oxidanyl-propoxy]butan-1-ol

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-diethylaminoethylamino)-2-oxidanyl-propoxy]butan-1-ol Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-diethylaminoethylamino)-2-hydroxy-propoxy]butan-1-ol CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-diethylaminoethylamino)-2-hydroxypropoxy]-1-butanol IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-diethylaminoethylamino)-2-hydroxypropoxy]butan-1-ol Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-[[3-(2-diethylaminoethylamino)-2-hydroxy-propoxy]methyl]butan-1-ol Formula: C21H36N2O5 MolecularWeight: 396.52094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNCC(COCC(CCO)CC1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

CCN(CC)CCNCC(COCC(CCO)CC1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C21H36N2O5/c1-3-23(4-2)9-8-22-13-19(25)15-26-14-18(7-10-24)11-17-5-6-20-21(12-17)28-16-27-20/h5-6,12,18-19,22,24-25H,3-4,7-11,13-16H2,1-2H3