butane; ethyl 4-[(3S,5R)-3,5-dimethylcyclohexyl]oxy-5-ethyl-6-methyl-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: butane; ethyl 4-[(3S,5R)-3,5-dimethylcyclohexyl]oxy-5-ethyl-6-methyl-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: butane; ethyl 4-[(3S,5R)-3,5-dimethylcyclohexoxy]-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate CAS Name: butane; 4-[(3S,5R)-3,5-dimethylcyclohexyl]oxy-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: butane; ethyl 4-[(3S,5R)-3,5-dimethylcyclohexyl]oxy-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 4-[(3S,5R)-3,5-dimethylcyclohexoxy]-5-ethyl-2-keto-6-methyl-1H-pyridine-3-carboxylic acid ethyl ester; n-butane Formula: C23H39NO4 MolecularWeight: 393.56006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCC1=C(NC(=O)C(=C1OC2CC(CC(C2)C)C)C(=O)OCC)C

Isomeric SMILES

CCCC.CCC1=C(NC(=O)C(=C1OC2C[C@@H](C[C@@H](C2)C)C)C(=O)OCC)C

InChI

InChI=1S/C19H29NO4.C4H10/c1-6-15-13(5)20-18(21)16(19(22)23-7-2)17(15)24-14-9-11(3)8-12(4)10-14;1-3-4-2/h11-12,14H,6-10H2,1-5H3,(H,20,21);3-4H2,1-2H3/t11-,12+,14?;