methyl (E)-6-[4-[(aminocarbonylamino)-phenyl-methyl]-2-fluoranyl-cyclopentyl]hex-4-enoate

Systemtic Name: methyl (E)-6-[4-[(aminocarbonylamino)-phenyl-methyl]-2-fluoranyl-cyclopentyl]hex-4-enoate Openeye Name: methyl (E)-6-[2-fluoro-4-[phenyl(ureido)methyl]cyclopentyl]hex-4-enoate CAS Name: (E)-6-[4-[(carbamoylamino)-phenylmethyl]-2-fluorocyclopentyl]-4-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[4-[(carbamoylamino)-phenylmethyl]-2-fluorocyclopentyl]hex-4-enoate Traditional Name: (E)-6-[2-fluoro-4-[phenyl(ureido)methyl]cyclopentyl]hex-4-enoic acid methyl ester Formula: C20H27FN2O3 MolecularWeight: 362.438383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC=CCC1CC(CC1F)C(C2=CC=CC=C2)NC(=O)N

Isomeric SMILES

COC(=O)CC/C=C/CC1CC(CC1F)C(C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C20H27FN2O3/c1-26-18(24)11-7-3-6-10-15-12-16(13-17(15)21)19(23-20(22)25)14-8-4-2-5-9-14/h2-6,8-9,15-17,19H,7,10-13H2,1H3,(H3,22,23,25)/b6-3+