(1S,4S,5R)-5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(pyridin-2-ylamino)cyclohex-2-en-1-ol

Systemtic Name: (1S,4S,5R)-5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(pyridin-2-ylamino)cyclohex-2-en-1-ol Openeye Name: (1S,4S,5R)-5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(2-pyridylamino)cyclohex-2-en-1-ol CAS Name: (1S,4S,5R)-5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(2-pyridinylamino)-1-cyclohex-2-enol IUPAC Name: (1S,4S,5R)-5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(pyridin-2-ylamino)cyclohex-2-en-1-ol Traditional Name: (1S,4S,5R)-5-(7-methoxy-1,3-benzodioxol-5-yl)-4-(2-pyridylamino)cyclohex-2-en-1-ol Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C3CC(C=CC3NC4=CC=CC=N4)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)[C@H]3C[C@@H](C=C[C@@H]3NC4=CC=CC=N4)O

InChI

InChI=1S/C19H20N2O4/c1-23-16-8-12(9-17-19(16)25-11-24-17)14-10-13(22)5-6-15(14)21-18-4-2-3-7-20-18/h2-9,13-15,22H,10-11H2,1H3,(H,20,21)/t13-,14-,15+/m1/s1