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

Systemtic Name: phenyl (7R,8aR)-7-methyl-4-oxidanylidene-2,3,6,7,8,8a-hexahydroquinoline-1-carboxylate Openeye Name: phenyl (7R,8aR)-7-methyl-4-oxo-2,3,6,7,8,8a-hexahydroquinoline-1-carboxylate CAS Name: (7R,8aR)-7-methyl-4-oxo-2,3,6,7,8,8a-hexahydroquinoline-1-carboxylic acid phenyl ester IUPAC Name: phenyl (7R,8aR)-7-methyl-4-oxo-2,3,6,7,8,8a-hexahydroquinoline-1-carboxylate Traditional Name: (7R,8aR)-4-keto-7-methyl-2,3,6,7,8,8a-hexahydroquinoline-1-carboxylic acid phenyl ester Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C2C(C1)N(CCC2=O)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC=C2[C@@H](C1)N(CCC2=O)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H19NO3/c1-12-7-8-14-15(11-12)18(10-9-16(14)19)17(20)21-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3/t12-,15-/m1/s1