methyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)-5-(3-fluoranyl-5-nitro-phenyl)pent-4-ynoate

Systemtic Name: methyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)-5-(3-fluoranyl-5-nitro-phenyl)pent-4-ynoate Openeye Name: methyl 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-(3-fluoro-5-nitro-phenyl)pent-4-ynoate CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(3-fluoro-5-nitrophenyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(3-fluoro-5-nitrophenyl)pent-4-ynoate Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-(3-fluoro-5-nitro-phenyl)pent-4-ynoic acid methyl ester Formula: C24H24FNO6 MolecularWeight: 441.448863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)C#CC2=CC(=CC(=C2)F)[N+](=O)[O-])OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)C#CC2=CC(=CC(=C2)F)[N+](=O)[O-])OC3CCCC3

InChI

InChI=1S/C24H24FNO6/c1-30-22-10-9-17(13-23(22)32-21-5-3-4-6-21)18(14-24(27)31-2)8-7-16-11-19(25)15-20(12-16)26(28)29/h9-13,15,18,21H,3-6,14H2,1-2H3