cyclopentyl (4S,4aS)-2-methyl-5-oxidanylidene-4-pyridin-4-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cyclopentyl (4S,4aS)-2-methyl-5-oxidanylidene-4-pyridin-4-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cyclopentyl (4S,4aS)-2-methyl-5-oxo-4-(4-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aS)-2-methyl-5-oxo-4-pyridin-4-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4S,4aS)-2-methyl-5-oxo-4-pyridin-4-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-5-keto-2-methyl-4-(4-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC=NC=C3)C(=O)OC4CCCC4

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=N1)CCCC2=O)C3=CC=NC=C3)C(=O)OC4CCCC4

InChI

InChI=1S/C21H24N2O3/c1-13-18(21(25)26-15-5-2-3-6-15)19(14-9-11-22-12-10-14)20-16(23-13)7-4-8-17(20)24/h9-12,15,19-20H,2-8H2,1H3/t19-,20-/m0/s1