3-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid

Systemtic Name: 3-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxo-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-keto-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3CCCC3

InChI

InChI=1S/C21H20N2O4/c1-13-17(7-4-8-18(13)21(25)26)19-10-9-16(27-19)11-14(12-22)20(24)23-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6H2,1H3,(H,23,24)(H,25,26)/b14-11+