sodium 3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: sodium 3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: sodium 3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: sodium 3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate IUPAC Name: sodium 3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: sodium 3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylate Formula: C17H16NNaO3 MolecularWeight: 305.30361

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=CC=C2C(=O)C3=CC=CC=C3)C(C1)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCN2C(=CC=C2C(=O)C3=CC=CC=C3)C(C1)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H17NO3.Na/c19-16(12-6-2-1-3-7-12)15-10-9-14-13(17(20)21)8-4-5-11-18(14)15;/h1-3,6-7,9-10,13H,4-5,8,11H2,(H,20,21);/q;+1/p-1