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

Systemtic Name: (1S,3R)-1,3-bis(aminomethyl)-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Openeye Name: (1S,3R)-1,3-bis(aminomethyl)-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol CAS Name: (1S,3R)-1,3-bis(aminomethyl)-6-cyclohexylidene-4,5-dihydro-3H-2-benzopyran-1,5-diol IUPAC Name: (1S,3R)-1,3-bis(aminomethyl)-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Traditional Name: (1S,3R)-1,3-bis(aminomethyl)-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c18-9-12-8-14-15(17(21,10-19)22-12)7-6-13(16(14)20)11-4-2-1-3-5-11/h6-7,12,16,20-21H,1-5,8-10,18-19H2/t12-,16?,17-/m1/s1