1-(1,3-benzodioxol-5-yloxy)-3-[(phenylmethyl)amino]butan-2-ol

Systemtic Name: 1-(1,3-benzodioxol-5-yloxy)-3-[(phenylmethyl)amino]butan-2-ol Openeye Name: 1-(1,3-benzodioxol-5-yloxy)-3-(benzylamino)butan-2-ol CAS Name: 1-(1,3-benzodioxol-5-yloxy)-3-[(phenylmethyl)amino]-2-butanol IUPAC Name: 1-(1,3-benzodioxol-5-yloxy)-3-(benzylamino)butan-2-ol Traditional Name: 1-(1,3-benzodioxol-5-yloxy)-3-(benzylamino)butan-2-ol Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(COC1=CC2=C(C=C1)OCO2)O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C(COC1=CC2=C(C=C1)OCO2)O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H21NO4/c1-13(19-10-14-5-3-2-4-6-14)16(20)11-21-15-7-8-17-18(9-15)23-12-22-17/h2-9,13,16,19-20H,10-12H2,1H3