methyl (4aS,8R,8aR)-5-methoxy-7-oxidanylidene-8-phenyl-1,2,3,4,8,8a-hexahydroquinoline-4a-carboxylate

Systemtic Name: methyl (4aS,8R,8aR)-5-methoxy-7-oxidanylidene-8-phenyl-1,2,3,4,8,8a-hexahydroquinoline-4a-carboxylate Openeye Name: methyl (4aS,8R,8aR)-5-methoxy-7-oxo-8-phenyl-1,2,3,4,8,8a-hexahydroquinoline-4a-carboxylate CAS Name: (4aS,8R,8aR)-5-methoxy-7-oxo-8-phenyl-1,2,3,4,8,8a-hexahydroquinoline-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aS,8R,8aR)-5-methoxy-7-oxo-8-phenyl-1,2,3,4,8,8a-hexahydroquinoline-4a-carboxylate Traditional Name: (4aS,8R,8aR)-7-keto-5-methoxy-8-phenyl-1,2,3,4,8,8a-hexahydroquinoline-4a-carboxylic acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(C2C1(CCCN2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=O)[C@@H]([C@@H]2[C@]1(CCCN2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO4/c1-22-14-11-13(20)15(12-7-4-3-5-8-12)16-18(14,17(21)23-2)9-6-10-19-16/h3-5,7-8,11,15-16,19H,6,9-10H2,1-2H3/t15-,16+,18+/m0/s1