2-[[4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexyl]amino]-2-oxo-acetic acid CAS Name: 2-[[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]amino]-2-oxoacetic acid Traditional Name: 2-[[4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexyl]amino]-2-keto-acetic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)NC(=O)C(=O)O)C#N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)NC(=O)C(=O)O)C#N)OC3CCCC3

InChI

InChI=1S/C21H26N2O5/c1-27-17-7-6-14(12-18(17)28-16-4-2-3-5-16)21(13-22)10-8-15(9-11-21)23-19(24)20(25)26/h6-7,12,15-16H,2-5,8-11H2,1H3,(H,23,24)(H,25,26)