(phenylmethyl) (3S,6S)-6-[2-(3-bromanyl-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-3-oxidanyl-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S,6S)-6-[2-(3-bromanyl-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-3-oxidanyl-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: benzyl (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: (3S,6S)-6-[2-(3-bromo-5-carbomethoxy-1H-pyrrol-2-yl)-2-keto-ethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester Formula: C21H21BrN2O6 MolecularWeight: 477.30524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N1)C(=O)CC2C=CC(CN2C(=O)OCC3=CC=CC=C3)O)Br

Isomeric SMILES

COC(=O)C1=CC(=C(N1)C(=O)C[C@H]2C=C[C@@H](CN2C(=O)OCC3=CC=CC=C3)O)Br

InChI

InChI=1S/C21H21BrN2O6/c1-29-20(27)17-10-16(22)19(23-17)18(26)9-14-7-8-15(25)11-24(14)21(28)30-12-13-5-3-2-4-6-13/h2-8,10,14-15,23,25H,9,11-12H2,1H3/t14-,15+/m1/s1