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

Systemtic Name: (4S)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxylic acid Openeye Name: (4S)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxylic acid CAS Name: (4S)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxylic acid IUPAC Name: (4S)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxylic acid Traditional Name: (4S)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-4-carboxylic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(NCCC2=C1)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C[C@H](NCCC2=C1)C(=O)O)OC

InChI

InChI=1S/C13H17NO4/c1-17-11-6-8-3-4-14-10(13(15)16)5-9(8)7-12(11)18-2/h6-7,10,14H,3-5H2,1-2H3,(H,15,16)/t10-/m0/s1