(phenylmethyl) 8,9-dimethoxy-3,4,5,6-tetrahydro-1H-2-benzazocine-2-carboxylate

Systemtic Name: (phenylmethyl) 8,9-dimethoxy-3,4,5,6-tetrahydro-1H-2-benzazocine-2-carboxylate Openeye Name: benzyl 8,9-dimethoxy-3,4,5,6-tetrahydro-1H-2-benzazocine-2-carboxylate CAS Name: 8,9-dimethoxy-3,4,5,6-tetrahydro-1H-2-benzazocine-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8,9-dimethoxy-3,4,5,6-tetrahydro-1H-2-benzazocine-2-carboxylate Traditional Name: 8,9-dimethoxy-3,4,5,6-tetrahydro-1H-2-benzazocine-2-carboxylic acid benzyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCCCC2=C1)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCCCC2=C1)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H25NO4/c1-24-19-12-17-10-6-7-11-22(14-18(17)13-20(19)25-2)21(23)26-15-16-8-4-3-5-9-16/h3-5,8-9,12-13H,6-7,10-11,14-15H2,1-2H3