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

Systemtic Name: methyl 5-[4-(cyanomethyl)phenyl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)pent-4-ynoate Openeye Name: methyl 5-[4-(cyanomethyl)phenyl]-3-[3-(cyclopentoxy)-4-methoxy-phenyl]pent-4-ynoate CAS Name: 5-[4-(cyanomethyl)phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 5-[4-(cyanomethyl)phenyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)pent-4-ynoate Traditional Name: 5-[4-(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=C(C=C2)CC#N)OC3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4/c1-29-24-14-13-21(17-25(24)31-23-5-3-4-6-23)22(18-26(28)30-2)12-11-19-7-9-20(10-8-19)15-16-27/h7-10,13-14,17,22-23H,3-6,15,18H2,1-2H3