1-(aminomethyl)-8-bromanyl-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol

Systemtic Name: 1-(aminomethyl)-8-bromanyl-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: 1-(aminomethyl)-8-bromo-3-phenyl-isochromane-5,6-diol CAS Name: 1-(aminomethyl)-8-bromo-3-phenyl-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: 1-(aminomethyl)-8-bromo-3-phenyl-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: 1-(aminomethyl)-8-bromo-3-phenyl-isochroman-5,6-diol Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C2=C(C=C(C(=C21)O)O)Br)CN)C3=CC=CC=C3

Isomeric SMILES

C1C(OC(C2=C(C=C(C(=C21)O)O)Br)CN)C3=CC=CC=C3

InChI

InChI=1S/C16H16BrNO3/c17-11-7-12(19)16(20)10-6-13(9-4-2-1-3-5-9)21-14(8-18)15(10)11/h1-5,7,13-14,19-20H,6,8,18H2