3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[2-(3-nitrophenyl)ethynyl]cyclohexan-1-one

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[2-(3-nitrophenyl)ethynyl]cyclohexan-1-one Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[2-(3-nitrophenyl)ethynyl]cyclohexanone CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-[2-(3-nitrophenyl)ethynyl]-1-cyclohexanone IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-[2-(3-nitrophenyl)ethynyl]cyclohexan-1-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[2-(3-nitrophenyl)ethynyl]cyclohexanone Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC(=O)C2)C#CC3=CC(=CC=C3)[N+](=O)[O-])OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC(=O)C2)C#CC3=CC(=CC=C3)[N+](=O)[O-])OC4CCCC4

InChI

InChI=1S/C26H27NO5/c1-31-24-12-11-20(17-25(24)32-23-9-2-3-10-23)26(14-5-8-22(28)18-26)15-13-19-6-4-7-21(16-19)27(29)30/h4,6-7,11-12,16-17,23H,2-3,5,8-10,14,18H2,1H3