[(2S,3R)-4-(3-iodanylpropyl)-2-methyl-6-oxidanylidene-1-(phenylmethyl)-2,3-dihydropyridin-3-yl] ethanoate

Systemtic Name: [(2S,3R)-4-(3-iodanylpropyl)-2-methyl-6-oxidanylidene-1-(phenylmethyl)-2,3-dihydropyridin-3-yl] ethanoate Openeye Name: [(2S,3R)-1-benzyl-4-(3-iodopropyl)-2-methyl-6-oxo-2,3-dihydropyridin-3-yl] acetate CAS Name: acetic acid [(2S,3R)-4-(3-iodopropyl)-2-methyl-6-oxo-1-(phenylmethyl)-2,3-dihydropyridin-3-yl] ester IUPAC Name: [(2S,3R)-1-benzyl-4-(3-iodopropyl)-2-methyl-6-oxo-2,3-dihydropyridin-3-yl] acetate Traditional Name: acetic acid [(2S,3R)-1-benzyl-4-(3-iodopropyl)-6-keto-2-methyl-2,3-dihydropyridin-3-yl] ester Formula: C18H22INO3 MolecularWeight: 427.27665

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=CC(=O)N1CC2=CC=CC=C2)CCCI)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H](C(=CC(=O)N1CC2=CC=CC=C2)CCCI)OC(=O)C

InChI

InChI=1S/C18H22INO3/c1-13-18(23-14(2)21)16(9-6-10-19)11-17(22)20(13)12-15-7-4-3-5-8-15/h3-5,7-8,11,13,18H,6,9-10,12H2,1-2H3/t13-,18-/m0/s1