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

Systemtic Name: sodium 2-ethyl-3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: sodium 3-benzoyl-2-ethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: sodium 3-benzoyl-2-ethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate IUPAC Name: sodium 3-benzoyl-2-ethyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: sodium 3-benzoyl-2-ethyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylate Formula: C19H20NNaO3 MolecularWeight: 333.35677

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2CCCCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CCC1=C(N2CCCCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C19H21NO3.Na/c1-2-13-12-16-15(19(22)23)10-6-7-11-20(16)17(13)18(21)14-8-4-3-5-9-14;/h3-5,8-9,12,15H,2,6-7,10-11H2,1H3,(H,22,23);/q;+1/p-1