methyl 5-[3-(cyanomethyl)phenyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)pent-4-ynoate

Systemtic Name: methyl 5-[3-(cyanomethyl)phenyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)pent-4-ynoate Openeye Name: methyl 5-[3-(cyanomethyl)phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pent-4-ynoate CAS Name: 5-[3-(cyanomethyl)phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 5-[3-(cyanomethyl)phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)pent-4-ynoate Traditional Name: 5-[3-(cyanomethyl)phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pent-4-ynoic acid methyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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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)CC#N)OC3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4/c1-29-24-13-12-21(17-25(24)31-23-8-3-4-9-23)22(18-26(28)30-2)11-10-19-6-5-7-20(16-19)14-15-27/h5-7,12-13,16-17,22-23H,3-4,8-9,14,18H2,1-2H3