(4S)-7,8-dimethoxy-3-phenylmethoxycarbonyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylic acid

Systemtic Name: (4S)-7,8-dimethoxy-3-phenylmethoxycarbonyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylic acid Openeye Name: (4S)-3-benzyloxycarbonyl-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylic acid CAS Name: (4S)-7,8-dimethoxy-3-phenylmethoxycarbonyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylic acid IUPAC Name: (4S)-7,8-dimethoxy-3-phenylmethoxycarbonyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylic acid Traditional Name: (4S)-3-carbobenzoxy-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2C[C@H](N(CCC2=C1)C(=O)OCC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C21H23NO6/c1-26-18-11-15-8-9-22(21(25)28-13-14-6-4-3-5-7-14)17(20(23)24)10-16(15)12-19(18)27-2/h3-7,11-12,17H,8-10,13H2,1-2H3,(H,23,24)/t17-/m0/s1