1-(aminomethyl)-3-[(4-tert-butylphenoxy)methyl]-3,4-dihydro-1H-isochromene-5,6-diol

Systemtic Name: 1-(aminomethyl)-3-[(4-tert-butylphenoxy)methyl]-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: 1-(aminomethyl)-3-[(4-tert-butylphenoxy)methyl]isochromane-5,6-diol CAS Name: 1-(aminomethyl)-3-[(4-tert-butylphenoxy)methyl]-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: 1-(aminomethyl)-3-[(4-tert-butylphenoxy)methyl]-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: 1-(aminomethyl)-3-[(4-tert-butylphenoxy)methyl]isochroman-5,6-diol Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2CC3=C(C=CC(=C3O)O)C(O2)CN

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2CC3=C(C=CC(=C3O)O)C(O2)CN

InChI

InChI=1S/C21H27NO4/c1-21(2,3)13-4-6-14(7-5-13)25-12-15-10-17-16(19(11-22)26-15)8-9-18(23)20(17)24/h4-9,15,19,23-24H,10-12,22H2,1-3H3