6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate

Systemtic Name: 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate Openeye Name: 6-[(E)-styryl]-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate CAS Name: 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate IUPAC Name: 6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate Traditional Name: 6-[(E)-styryl]-3,4-dihydro-2H-1,5-benzoxazocin-3-ol hydrate Formula: C36H36N2O5 MolecularWeight: 576.68144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=CC=CC=C2C(=N1)C=CC3=CC=CC=C3)O.C1C(COC2=CC=CC=C2C(=N1)C=CC3=CC=CC=C3)O.O

Isomeric SMILES

C1N=C(C2=CC=CC=C2OCC1O)/C=C/C3=CC=CC=C3.C1N=C(C2=CC=CC=C2OCC1O)/C=C/C3=CC=CC=C3.O

InChI

InChI=1S/2C18H17NO2.H2O/c2*20-15-12-19-17(11-10-14-6-2-1-3-7-14)16-8-4-5-9-18(16)21-13-15;/h2*1-11,15,20H,12-13H2;1H2/b2*11-10+,19-17?;