sodium 3-(4-methoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: sodium 3-(4-methoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: sodium 3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: sodium 3-[(4-methoxyphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate IUPAC Name: sodium 3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: sodium 3-p-anisoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylate Formula: C18H18NNaO4 MolecularWeight: 335.32959

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCCC3C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCCC3C(=O)[O-].[Na+]

InChI

InChI=1S/C18H19NO4.Na/c1-23-13-7-5-12(6-8-13)17(20)16-10-9-15-14(18(21)22)4-2-3-11-19(15)16;/h5-10,14H,2-4,11H2,1H3,(H,21,22);/q;+1/p-1