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

Systemtic Name: methyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)-5-(3-fluorophenyl)pent-4-ynoate Openeye Name: methyl 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-(3-fluorophenyl)pent-4-ynoate CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(3-fluorophenyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(3-fluorophenyl)pent-4-ynoate Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-(3-fluorophenyl)pent-4-ynoic acid methyl ester Formula: C24H25FO4 MolecularWeight: 396.451303

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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)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)C#CC2=CC(=CC=C2)F)OC3CCCC3

InChI

InChI=1S/C24H25FO4/c1-27-22-13-12-18(15-23(22)29-21-8-3-4-9-21)19(16-24(26)28-2)11-10-17-6-5-7-20(25)14-17/h5-7,12-15,19,21H,3-4,8-9,16H2,1-2H3