methyl 5-[3,5-bis(trifluoromethyl)phenyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)pent-4-ynoate

Systemtic Name: methyl 5-[3,5-bis(trifluoromethyl)phenyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)pent-4-ynoate Openeye Name: methyl 5-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pent-4-ynoate CAS Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 5-[3,5-bis(trifluoromethyl)phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)pent-4-ynoate Traditional Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pent-4-ynoic acid methyl ester Formula: C26H24F6O4 MolecularWeight: 514.456779

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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)C(F)(F)F)C(F)(F)F)OC3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C26H24F6O4/c1-34-22-10-9-17(13-23(22)36-21-5-3-4-6-21)18(14-24(33)35-2)8-7-16-11-19(25(27,28)29)15-20(12-16)26(30,31)32/h9-13,15,18,21H,3-6,14H2,1-2H3