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

Systemtic Name: pentyl (4S)-2-methyl-5-oxidanylidene-4-pyridin-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: pentyl (4S)-2-methyl-5-oxo-4-(2-pyridyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(2-pyridinyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(2-pyridyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid amyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=CC=CC=N3

Isomeric SMILES

CCCCCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=CC=CC=N3

InChI

InChI=1S/C21H26N2O3/c1-3-4-7-13-26-21(25)18-14(2)23-16-10-8-11-17(24)19(16)20(18)15-9-5-6-12-22-15/h5-6,9,12,18,20H,3-4,7-8,10-11,13H2,1-2H3/t18?,20-/m0/s1