methyl (3S,4aR)-3-methyl-2-oxidanylidene-1,3,4,5,6,7-hexahydroquinoline-4a-carboxylate

Systemtic Name: methyl (3S,4aR)-3-methyl-2-oxidanylidene-1,3,4,5,6,7-hexahydroquinoline-4a-carboxylate Openeye Name: methyl (3S,4aR)-3-methyl-2-oxo-1,3,4,5,6,7-hexahydroquinoline-4a-carboxylate CAS Name: (3S,4aR)-3-methyl-2-oxo-1,3,4,5,6,7-hexahydroquinoline-4a-carboxylic acid methyl ester IUPAC Name: methyl (3S,4aR)-3-methyl-2-oxo-1,3,4,5,6,7-hexahydroquinoline-4a-carboxylate Traditional Name: (3S,4aR)-2-keto-3-methyl-1,3,4,5,6,7-hexahydroquinoline-4a-carboxylic acid methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(CCCC=C2NC1=O)C(=O)OC

Isomeric SMILES

C[C@H]1C[C@@]2(CCCC=C2NC1=O)C(=O)OC

InChI

InChI=1S/C12H17NO3/c1-8-7-12(11(15)16-2)6-4-3-5-9(12)13-10(8)14/h5,8H,3-4,6-7H2,1-2H3,(H,13,14)/t8-,12+/m0/s1