4-(aminomethyl)-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene-5,6-diol

Systemtic Name: 4-(aminomethyl)-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: 4-(aminomethyl)-3-(phenoxymethyl)isochromane-5,6-diol CAS Name: 4-(aminomethyl)-3-(phenoxymethyl)-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: 4-(aminomethyl)-3-(phenoxymethyl)-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: 4-(aminomethyl)-3-(phenoxymethyl)isochroman-5,6-diol Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(C(O1)COC3=CC=CC=C3)CN)C(=C(C=C2)O)O

Isomeric SMILES

C1C2=C(C(C(O1)COC3=CC=CC=C3)CN)C(=C(C=C2)O)O

InChI

InChI=1S/C17H19NO4/c18-8-13-15(10-21-12-4-2-1-3-5-12)22-9-11-6-7-14(19)17(20)16(11)13/h1-7,13,15,19-20H,8-10,18H2