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

Systemtic Name: (1S,3R)-1-(aminomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol hydrochloride Openeye Name: (1S,3R)-1-(aminomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol hydrochloride CAS Name: (1S,3R)-1-(aminomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-2-benzopyran-1,5-diol hydrochloride IUPAC Name: (1S,3R)-1-(aminomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol hydrochloride Traditional Name: (1S,3R)-1-(aminomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol hydrochloride Formula: C20H32ClNO3 MolecularWeight: 369.92598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC2=C(C=CC(=C3CCCCC3)C2O)C(O1)(CN)O.Cl

Isomeric SMILES

CC(C)(C)[C@H]1CC2=C(C=CC(=C3CCCCC3)C2O)[C@](O1)(CN)O.Cl

InChI

InChI=1S/C20H31NO3.ClH/c1-19(2,3)17-11-15-16(20(23,12-21)24-17)10-9-14(18(15)22)13-7-5-4-6-8-13;/h9-10,17-18,22-23H,4-8,11-12,21H2,1-3H3;1H/t17-,18?,20-;/m1./s1