(phenylmethyl) 4-(hydroxymethyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(hydroxymethyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: benzyl 4-(hydroxymethyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 4-(hydroxymethyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(hydroxymethyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 7,8-dimethoxy-4-methylol-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid benzyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(N(CCC2=C1)C(=O)OCC3=CC=CC=C3)CO)OC

Isomeric SMILES

COC1=C(C=C2CC(N(CCC2=C1)C(=O)OCC3=CC=CC=C3)CO)OC

InChI

InChI=1S/C21H25NO5/c1-25-19-11-16-8-9-22(18(13-23)10-17(16)12-20(19)26-2)21(24)27-14-15-6-4-3-5-7-15/h3-7,11-12,18,23H,8-10,13-14H2,1-2H3