ethyl (4S)-2-ethyl-7,7-dimethyl-5-oxidanylidene-4-pyridin-3-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(C1C(=O)OCC)C3=CN=CC=C3)C(=O)CC(C2)(C)C

Isomeric SMILES

CCC1=NC2=C([C@@H](C1C(=O)OCC)C3=CN=CC=C3)C(=O)CC(C2)(C)C

InChI

InChI=1S/C21H26N2O3/c1-5-14-19(20(25)26-6-2)17(13-8-7-9-22-12-13)18-15(23-14)10-21(3,4)11-16(18)24/h7-9,12,17,19H,5-6,10-11H2,1-4H3/t17-,19?/m0/s1