(1S,3R)-1-(aminomethyl)-6-cyclohexylidene-3-(hydroxymethyl)-4,5-dihydro-3H-isochromene-1,5-diol

Systemtic Name: (1S,3R)-1-(aminomethyl)-6-cyclohexylidene-3-(hydroxymethyl)-4,5-dihydro-3H-isochromene-1,5-diol Openeye Name: (1S,3R)-1-(aminomethyl)-6-cyclohexylidene-3-(hydroxymethyl)-4,5-dihydro-3H-isochromene-1,5-diol CAS Name: (1S,3R)-1-(aminomethyl)-6-cyclohexylidene-3-(hydroxymethyl)-4,5-dihydro-3H-2-benzopyran-1,5-diol IUPAC Name: (1S,3R)-1-(aminomethyl)-6-cyclohexylidene-3-(hydroxymethyl)-4,5-dihydro-3H-isochromene-1,5-diol Traditional Name: (1S,3R)-1-(aminomethyl)-6-cyclohexylidene-3-methylol-4,5-dihydro-3H-isochromene-1,5-diol Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C2C=CC3=C(C2O)CC(OC3(CN)O)CO)CC1

Isomeric SMILES

C1CCC(=C2C=CC3=C(C2O)C[C@@H](O[C@@]3(CN)O)CO)CC1

InChI

InChI=1S/C17H25NO4/c18-10-17(21)15-7-6-13(11-4-2-1-3-5-11)16(20)14(15)8-12(9-19)22-17/h6-7,12,16,19-21H,1-5,8-10,18H2/t12-,16?,17-/m1/s1