(phenylmethyl) (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: (phenylmethyl) (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: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C28H27BrN2O6 MolecularWeight: 567.42778

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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)OCC4=CC=CC=C4)Br

Isomeric SMILES

COC(=O)C1=CC(=C(N1)C(=O)C[C@H]2C=C[C@@H](CN2C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C28H27BrN2O6/c1-35-27(33)24-15-23(29)26(30-24)25(32)14-21-12-13-22(36-17-19-8-4-2-5-9-19)16-31(21)28(34)37-18-20-10-6-3-7-11-20/h2-13,15,21-22,30H,14,16-18H2,1H3/t21-,22+/m1/s1