6-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate

Systemtic Name: 6-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate Openeye Name: 6-(p-tolyl)-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate CAS Name: 6-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate IUPAC Name: 6-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate Traditional Name: 6-(p-tolyl)-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NCC(COC3=CC=CC=C32)O.O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NCC(COC3=CC=CC=C32)O.O

InChI

InChI=1S/C17H17NO2.H2O/c1-12-6-8-13(9-7-12)17-15-4-2-3-5-16(15)20-11-14(19)10-18-17;/h2-9,14,19H,10-11H2,1H3;1H2