(phenylmethyl) 9,10-dimethoxy-1,2,4,5,6,7-hexahydro-3-benzazonine-3-carboxylate

Systemtic Name: (phenylmethyl) 9,10-dimethoxy-1,2,4,5,6,7-hexahydro-3-benzazonine-3-carboxylate Openeye Name: benzyl 9,10-dimethoxy-1,2,4,5,6,7-hexahydro-3-benzazonine-3-carboxylate CAS Name: 9,10-dimethoxy-1,2,4,5,6,7-hexahydro-3-benzazonine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9,10-dimethoxy-1,2,4,5,6,7-hexahydro-3-benzazonine-3-carboxylate Traditional Name: 9,10-dimethoxy-1,2,4,5,6,7-hexahydro-3-benzazonine-3-carboxylic acid benzyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(CCCCC2=C1)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2CCN(CCCCC2=C1)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27NO4/c1-25-20-14-18-10-6-7-12-23(13-11-19(18)15-21(20)26-2)22(24)27-16-17-8-4-3-5-9-17/h3-5,8-9,14-15H,6-7,10-13,16H2,1-2H3