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

Systemtic Name: methyl 5-[3,5-bis(chloranyl)phenyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)pent-4-ynoate Openeye Name: methyl 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-(3,5-dichlorophenyl)pent-4-ynoate CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(3,5-dichlorophenyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(3,5-dichlorophenyl)pent-4-ynoate Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-(3,5-dichlorophenyl)pent-4-ynoic acid methyl ester Formula: C24H24Cl2O4 MolecularWeight: 447.35096

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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)Cl)Cl)OC3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C24H24Cl2O4/c1-28-22-10-9-17(13-23(22)30-21-5-3-4-6-21)18(14-24(27)29-2)8-7-16-11-19(25)15-20(26)12-16/h9-13,15,18,21H,3-6,14H2,1-2H3