ethyl (3R)-1-[(2,2-dimethyl-4-oxidanylidene-3H-pyran-6-yl)carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(2,2-dimethyl-4-oxidanylidene-3H-pyran-6-yl)carbonyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3R)-1-[(2,2-dimethyl-4-oxo-3H-pyran-6-yl)-oxomethyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3R)-1-(4-keto-2,2-dimethyl-3H-pyran-6-carbonyl)-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=O)CC(O2)(C)C)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CC(=O)CC(O2)(C)C)CC3=CC=CC=C3C

InChI

InChI=1S/C24H31NO5/c1-5-29-22(28)24(14-18-10-7-6-9-17(18)2)11-8-12-25(16-24)21(27)20-13-19(26)15-23(3,4)30-20/h6-7,9-10,13H,5,8,11-12,14-16H2,1-4H3/t24-/m1/s1