phenyl (2S,8aR)-4-oxidanylidene-2-propyl-2,3,6,7,8,8a-hexahydroquinoline-1-carboxylate

Systemtic Name: phenyl (2S,8aR)-4-oxidanylidene-2-propyl-2,3,6,7,8,8a-hexahydroquinoline-1-carboxylate Openeye Name: phenyl (2S,8aR)-4-oxo-2-propyl-2,3,6,7,8,8a-hexahydroquinoline-1-carboxylate CAS Name: (2S,8aR)-4-oxo-2-propyl-2,3,6,7,8,8a-hexahydroquinoline-1-carboxylic acid phenyl ester IUPAC Name: phenyl (2S,8aR)-4-oxo-2-propyl-2,3,6,7,8,8a-hexahydroquinoline-1-carboxylate Traditional Name: (2S,8aR)-4-keto-2-propyl-2,3,6,7,8,8a-hexahydroquinoline-1-carboxylic acid phenyl ester Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(=O)C2=CCCCC2N1C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC[C@H]1CC(=O)C2=CCCC[C@H]2N1C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H23NO3/c1-2-8-14-13-18(21)16-11-6-7-12-17(16)20(14)19(22)23-15-9-4-3-5-10-15/h3-5,9-11,14,17H,2,6-8,12-13H2,1H3/t14-,17+/m0/s1