phenyl (2S,3S)-3-acetyloxy-6-(3-bromanylbut-3-enyl)-2-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2,3-dihydropyridine-1-carboxylate

Systemtic Name: phenyl (2S,3S)-3-acetyloxy-6-(3-bromanylbut-3-enyl)-2-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2,3-dihydropyridine-1-carboxylate Openeye Name: phenyl (2S,3S)-3-acetoxy-6-(3-bromobut-3-enyl)-2-[(4-methoxyphenyl)methyl]-4-oxo-2,3-dihydropyridine-1-carboxylate CAS Name: (2S,3S)-3-acetyloxy-6-(3-bromobut-3-enyl)-2-[(4-methoxyphenyl)methyl]-4-oxo-2,3-dihydropyridine-1-carboxylic acid phenyl ester IUPAC Name: phenyl (2S,3S)-3-acetyloxy-6-(3-bromobut-3-enyl)-2-[(4-methoxyphenyl)methyl]-4-oxo-2,3-dihydropyridine-1-carboxylate Traditional Name: (2S,3S)-3-acetoxy-6-(3-bromobut-3-enyl)-4-keto-2-p-anisyl-2,3-dihydropyridine-1-carboxylic acid phenyl ester Formula: C26H26BrNO6 MolecularWeight: 528.39174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(N(C(=CC1=O)CCC(=C)Br)C(=O)OC2=CC=CC=C2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](N(C(=CC1=O)CCC(=C)Br)C(=O)OC2=CC=CC=C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H26BrNO6/c1-17(27)9-12-20-16-24(30)25(33-18(2)29)23(15-19-10-13-21(32-3)14-11-19)28(20)26(31)34-22-7-5-4-6-8-22/h4-8,10-11,13-14,16,23,25H,1,9,12,15H2,2-3H3/t23-,25-/m0/s1