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

Systemtic Name: methyl 5-(3-cyanophenyl)-3-(3-cyclopentyloxy-4-methoxy-phenyl)pent-4-ynoate Openeye Name: methyl 5-(3-cyanophenyl)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pent-4-ynoate CAS Name: 5-(3-cyanophenyl)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 5-(3-cyanophenyl)-3-(3-cyclopentyloxy-4-methoxyphenyl)pent-4-ynoate Traditional Name: 5-(3-cyanophenyl)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pent-4-ynoic acid methyl ester Formula: C25H25NO4 MolecularWeight: 403.4703

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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#N)OC3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4/c1-28-23-13-12-20(15-24(23)30-22-8-3-4-9-22)21(16-25(27)29-2)11-10-18-6-5-7-19(14-18)17-26/h5-7,12-15,21-22H,3-4,8-9,16H2,1-2H3