4-(aminomethyl)-3-[(2-phenylphenoxy)methyl]-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride

Systemtic Name: 4-(aminomethyl)-3-[(2-phenylphenoxy)methyl]-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Openeye Name: 4-(aminomethyl)-3-[(2-phenylphenoxy)methyl]isochromane-5,6-diol hydrochloride CAS Name: 4-(aminomethyl)-3-[(2-phenylphenoxy)methyl]-3,4-dihydro-1H-2-benzopyran-5,6-diol hydrochloride IUPAC Name: 4-(aminomethyl)-3-[(2-phenylphenoxy)methyl]-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride Traditional Name: 4-(aminomethyl)-3-[(2-phenylphenoxy)methyl]isochroman-5,6-diol hydrochloride Formula: C23H24ClNO4 MolecularWeight: 413.89396

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(C(O1)COC3=CC=CC=C3C4=CC=CC=C4)CN)C(=C(C=C2)O)O.Cl

Isomeric SMILES

C1C2=C(C(C(O1)COC3=CC=CC=C3C4=CC=CC=C4)CN)C(=C(C=C2)O)O.Cl

InChI

InChI=1S/C23H23NO4.ClH/c24-12-18-21(27-13-16-10-11-19(25)23(26)22(16)18)14-28-20-9-5-4-8-17(20)15-6-2-1-3-7-15;/h1-11,18,21,25-26H,12-14,24H2;1H