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

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

C1C(OC(C2=C1C(=C(C=C2)O)O)CN)COC3=CC=CC=C3C4=CC=CC=C4.Cl

Isomeric SMILES

C1C(OC(C2=C1C(=C(C=C2)O)O)CN)COC3=CC=CC=C3C4=CC=CC=C4.Cl

InChI

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