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

Systemtic Name: methyl (3S,6S)-6-[2-(3-bromanyl-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-3-phenylmethoxy-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: methyl (3S,6S)-3-benzyloxy-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-phenylmethoxy-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester IUPAC Name: methyl (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-phenylmethoxy-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: (3S,6S)-3-benzoxy-6-[2-(3-bromo-5-carbomethoxy-1H-pyrrol-2-yl)-2-keto-ethyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester Formula: C22H23BrN2O6 MolecularWeight: 491.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O6/c1-29-21(27)18-11-17(23)20(24-18)19(26)10-15-8-9-16(12-25(15)22(28)30-2)31-13-14-6-4-3-5-7-14/h3-9,11,15-16,24H,10,12-13H2,1-2H3/t15-,16+/m1/s1