2-[[6-cyano-6-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexa-2,4-dien-1-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[6-cyano-6-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexa-2,4-dien-1-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[6-cyano-6-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexa-2,4-dien-1-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[6-cyano-6-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexa-2,4-dienyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[6-cyano-6-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[6-cyano-6-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexa-2,4-dien-1-yl]amino]-2-keto-acetic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(C=CC=CC2NC(=O)C(=O)O)C#N)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2(C=CC=CC2NC(=O)C(=O)O)C#N)OC3CCCC3

InChI

InChI=1S/C21H22N2O5/c1-27-16-10-9-14(12-17(16)28-15-6-2-3-7-15)21(13-22)11-5-4-8-18(21)23-19(24)20(25)26/h4-5,8-12,15,18H,2-3,6-7H2,1H3,(H,23,24)(H,25,26)