6-oxidanylidene-7-[[3-(trifluoromethyl)phenyl]carbonylamino]-1,2,3,4,7,8,9,10,11,11a-decahydropyrido[1,2-a]azocine-4-carboxylic acid

Systemtic Name: 6-oxidanylidene-7-[[3-(trifluoromethyl)phenyl]carbonylamino]-1,2,3,4,7,8,9,10,11,11a-decahydropyrido[1,2-a]azocine-4-carboxylic acid Openeye Name: 6-oxo-7-[[3-(trifluoromethyl)benzoyl]amino]-1,2,3,4,7,8,9,10,11,11a-decahydropyrido[1,2-a]azocine-4-carboxylic acid CAS Name: 6-oxo-7-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-1,2,3,4,7,8,9,10,11,11a-decahydropyrido[1,2-a]azocine-4-carboxylic acid IUPAC Name: 6-oxo-7-[[3-(trifluoromethyl)benzoyl]amino]-1,2,3,4,7,8,9,10,11,11a-decahydropyrido[1,2-a]azocine-4-carboxylic acid Traditional Name: 6-keto-7-[[3-(trifluoromethyl)benzoyl]amino]-1,2,3,4,7,8,9,10,11,11a-decahydropyrid[1,2-a]azocine-4-carboxylic acid Formula: C20H23F3N2O4 MolecularWeight: 412.40283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)N2C(C1)CCCC2C(=O)O)NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCC(C(=O)N2C(C1)CCCC2C(=O)O)NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O4/c21-20(22,23)13-6-3-5-12(11-13)17(26)24-15-9-2-1-7-14-8-4-10-16(19(28)29)25(14)18(15)27/h3,5-6,11,14-16H,1-2,4,7-10H2,(H,24,26)(H,28,29)