ethyl (3S)-1-[(2,2-dimethyl-4-oxidanylidene-3H-pyran-6-yl)carbonyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2,2-dimethyl-4-oxidanylidene-3H-pyran-6-yl)carbonyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(2,2-dimethyl-4-oxo-3H-pyran-6-yl)-oxomethyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-(4-keto-2,2-dimethyl-3H-pyran-6-carbonyl)nipecotic acid ethyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=O)CC(O2)(C)C)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC(=O)CC(O2)(C)C)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H31NO5/c1-4-30-23(29)25(13-8-12-19-10-6-5-7-11-19)14-9-15-26(18-25)22(28)21-16-20(27)17-24(2,3)31-21/h5-8,10-12,16H,4,9,13-15,17-18H2,1-3H3/b12-8+/t25-/m1/s1