propyl (4R,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: propyl (4R,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: propyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R,4aR)-2,7,7-trimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R,4aR)-5-keto-2,7,7-trimethyl-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N=C2CC(CC(=O)C2C1C3=CC=CC=C3)(C)C)C

Isomeric SMILES

CCCOC(=O)C1=C(N=C2CC(CC(=O)[C@@H]2[C@@H]1C3=CC=CC=C3)(C)C)C

InChI

InChI=1S/C22H27NO3/c1-5-11-26-21(25)18-14(2)23-16-12-22(3,4)13-17(24)20(16)19(18)15-9-7-6-8-10-15/h6-10,19-20H,5,11-13H2,1-4H3/t19-,20-/m1/s1