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

Systemtic Name: methyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)-5-(4-nitrophenyl)pent-4-ynoate Openeye Name: methyl 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-(4-nitrophenyl)pent-4-ynoate CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(4-nitrophenyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(4-nitrophenyl)pent-4-ynoate Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-(4-nitrophenyl)pent-4-ynoic acid methyl ester Formula: C24H25NO6 MolecularWeight: 423.4584

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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)[N+](=O)[O-])OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)C#CC2=CC=C(C=C2)[N+](=O)[O-])OC3CCCC3

InChI

InChI=1S/C24H25NO6/c1-29-22-14-11-18(15-23(22)31-21-5-3-4-6-21)19(16-24(26)30-2)10-7-17-8-12-20(13-9-17)25(27)28/h8-9,11-15,19,21H,3-6,16H2,1-2H3