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

Systemtic Name: potassium 3-(2-butylphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: potassium 3-(2-butylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: potassium 3-[(2-butylphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate IUPAC Name: potassium 3-(2-butylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: potassium 3-(2-butylbenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylate Formula: C21H24KNO3 MolecularWeight: 377.51846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(=O)C2=CC=C3N2CCCCC3C(=O)[O-].[K+]

Isomeric SMILES

CCCCC1=CC=CC=C1C(=O)C2=CC=C3N2CCCCC3C(=O)[O-].[K+]

InChI

InChI=1S/C21H25NO3.K/c1-2-3-8-15-9-4-5-10-16(15)20(23)19-13-12-18-17(21(24)25)11-6-7-14-22(18)19;/h4-5,9-10,12-13,17H,2-3,6-8,11,14H2,1H3,(H,24,25);/q;+1/p-1