[(1R,2S,3S,5S)-2-fluoranyl-3-[[(E)-3-methoxy-2-methyl-prop-2-enoyl]carbamoylamino]-5-(phenylcarbonyloxy)cyclopentyl]methyl benzoate

Systemtic Name: [(1R,2S,3S,5S)-2-fluoranyl-3-[[(E)-3-methoxy-2-methyl-prop-2-enoyl]carbamoylamino]-5-(phenylcarbonyloxy)cyclopentyl]methyl benzoate Openeye Name: [(1R,2S,3S,5S)-5-benzoyloxy-2-fluoro-3-[[(E)-3-methoxy-2-methyl-prop-2-enoyl]carbamoylamino]cyclopentyl]methyl benzoate CAS Name: benzoic acid [(1R,2S,3S,5S)-5-benzoyloxy-2-fluoro-3-[[[[(E)-3-methoxy-2-methyl-1-oxoprop-2-enyl]amino]-oxomethyl]amino]cyclopentyl]methyl ester IUPAC Name: [(1R,2S,3S,5S)-5-benzoyloxy-2-fluoro-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]carbamoylamino]cyclopentyl]methyl benzoate Traditional Name: benzoic acid [(1R,2S,3S,5S)-5-benzoyloxy-2-fluoro-3-[[(E)-3-methoxy-2-methyl-acryloyl]carbamoylamino]cyclopentyl]methyl ester Formula: C26H27FN2O7 MolecularWeight: 498.500183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=COC)C(=O)NC(=O)NC1CC(C(C1F)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C/C(=C\OC)/C(=O)NC(=O)N[C@H]1C[C@@H]([C@H]([C@@H]1F)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H27FN2O7/c1-16(14-34-2)23(30)29-26(33)28-20-13-21(36-25(32)18-11-7-4-8-12-18)19(22(20)27)15-35-24(31)17-9-5-3-6-10-17/h3-12,14,19-22H,13,15H2,1-2H3,(H2,28,29,30,33)/b16-14+/t19-,20+,21+,22+/m1/s1