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

Systemtic Name: (phenylmethyl) (4S)-4-(acetyloxymethyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: benzyl (4S)-4-(acetoxymethyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: (4S)-4-(acetyloxymethyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-(acetyloxymethyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: (4S)-4-(acetoxymethyl)-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid benzyl ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC2=CC(=C(C=C2CCN1C(=O)OCC3=CC=CC=C3)OC)OC

Isomeric SMILES

CC(=O)OC[C@@H]1CC2=CC(=C(C=C2CCN1C(=O)OCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H27NO6/c1-16(25)29-15-20-11-19-13-22(28-3)21(27-2)12-18(19)9-10-24(20)23(26)30-14-17-7-5-4-6-8-17/h4-8,12-13,20H,9-11,14-15H2,1-3H3/t20-/m0/s1