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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-[2-oxidanyl-3-[(phenylmethyl)amino]propoxy]butan-1-ol Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-[3-(benzylamino)-2-hydroxy-propoxy]butan-1-ol CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-[2-hydroxy-3-[(phenylmethyl)amino]propoxy]-1-butanol IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-[3-(benzylamino)-2-hydroxypropoxy]butan-1-ol Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-[[3-(benzylamino)-2-hydroxy-propoxy]methyl]butan-1-ol Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(CCO)COCC(CNCC3=CC=CC=C3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(CCO)COCC(CNCC3=CC=CC=C3)O

InChI

InChI=1S/C22H29NO5/c24-9-8-19(10-18-6-7-21-22(11-18)28-16-27-21)14-26-15-20(25)13-23-12-17-4-2-1-3-5-17/h1-7,11,19-20,23-25H,8-10,12-16H2