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

Systemtic Name: propyl (4R,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-3-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: propyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-(3-pyridyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R,4aR)-2,7,7-trimethyl-5-oxo-4-(3-pyridinyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-pyridin-3-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R,4aR)-5-keto-2,7,7-trimethyl-4-(3-pyridyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-5-9-26-20(25)17-13(2)23-15-10-21(3,4)11-16(24)19(15)18(17)14-7-6-8-22-12-14/h6-8,12,18-19H,5,9-11H2,1-4H3/t18-,19-/m1/s1