4-[(1R)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,2-diol

Systemtic Name: 4-[(1R)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-oxidanyl-ethyl]benzene-1,2-diol Openeye Name: 4-[(1R)-2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]benzene-1,2-diol CAS Name: 4-[(1R)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol IUPAC Name: 4-[(1R)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol Traditional Name: 4-[(1R)-2-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]pyrocatechol Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)O)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)NC[C@@H](C3=CC(=C(C=C3)O)O)O

InChI

InChI=1S/C18H21NO5/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3/t11?,16-/m0/s1