3-cyclohexyl-1-[[(phenylmethyl)amino]methyl]-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride

Systemtic Name: 3-cyclohexyl-1-[[(phenylmethyl)amino]methyl]-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Openeye Name: 1-[(benzylamino)methyl]-3-cyclohexyl-isochromane-5,6-diol hydrochloride CAS Name: 3-cyclohexyl-1-[[(phenylmethyl)amino]methyl]-3,4-dihydro-1H-2-benzopyran-5,6-diol hydrochloride IUPAC Name: 1-[(benzylamino)methyl]-3-cyclohexyl-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Traditional Name: 1-[(benzylamino)methyl]-3-cyclohexyl-isochroman-5,6-diol hydrochloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC3=C(C=CC(=C3O)O)C(O2)CNCC4=CC=CC=C4.Cl

Isomeric SMILES

C1CCC(CC1)C2CC3=C(C=CC(=C3O)O)C(O2)CNCC4=CC=CC=C4.Cl

InChI

InChI=1S/C23H29NO3.ClH/c25-20-12-11-18-19(23(20)26)13-21(17-9-5-2-6-10-17)27-22(18)15-24-14-16-7-3-1-4-8-16;/h1,3-4,7-8,11-12,17,21-22,24-26H,2,5-6,9-10,13-15H2;1H