(1S,6S)-6-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylate Formula: C18H20NO3- MolecularWeight: 298.3563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)C(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C18H21NO3/c20-17(14-9-2-3-10-15(14)18(21)22)19-12-6-5-8-13-7-1-4-11-16(13)19/h1-4,7,11,14-15H,5-6,8-10,12H2,(H,21,22)/p-1/t14-,15-/m0/s1