ethyl 3-[(2S,5S)-1-methyl-6-oxidanylidene-2-(phenylmethyl)-2,5-dihydropyridin-5-yl]propanoate

Systemtic Name: ethyl 3-[(2S,5S)-1-methyl-6-oxidanylidene-2-(phenylmethyl)-2,5-dihydropyridin-5-yl]propanoate Openeye Name: ethyl 3-[(2S,5S)-2-benzyl-1-methyl-6-oxo-2,5-dihydropyridin-5-yl]propanoate CAS Name: 3-[(2S,5S)-1-methyl-6-oxo-2-(phenylmethyl)-2,5-dihydropyridin-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2S,5S)-2-benzyl-1-methyl-6-oxo-2,5-dihydropyridin-5-yl]propanoate Traditional Name: 3-[(2S,5S)-2-benzyl-6-keto-1-methyl-2,5-dihydropyridin-5-yl]propionic acid ethyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1C=CC(N(C1=O)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC[C@H]1C=C[C@@H](N(C1=O)C)CC2=CC=CC=C2

InChI

InChI=1S/C18H23NO3/c1-3-22-17(20)12-10-15-9-11-16(19(2)18(15)21)13-14-7-5-4-6-8-14/h4-9,11,15-16H,3,10,12-13H2,1-2H3/t15-,16-/m1/s1