3-(aminomethyl)-7-methyl-2,4-dihydro-1,5-benzodioxepin-3-ol

Systemtic Name: 3-(aminomethyl)-7-methyl-2,4-dihydro-1,5-benzodioxepin-3-ol Openeye Name: 3-(aminomethyl)-7-methyl-2,4-dihydro-1,5-benzodioxepin-3-ol CAS Name: 3-(aminomethyl)-7-methyl-2,4-dihydro-1,5-benzodioxepin-3-ol IUPAC Name: 3-(aminomethyl)-7-methyl-2,4-dihydro-1,5-benzodioxepin-3-ol Traditional Name: 3-(aminomethyl)-7-methyl-2,4-dihydro-1,5-benzodioxepin-3-ol Formula: C11H15NO3 MolecularWeight: 209.2417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(CO2)(CN)O

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(CO2)(CN)O

InChI

InChI=1S/C11H15NO3/c1-8-2-3-9-10(4-8)15-7-11(13,5-12)6-14-9/h2-4,13H,5-7,12H2,1H3