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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3C(=O)O)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3C(=O)O)/C#N

InChI

InChI=1S/C21H20N2O4/c22-13-14(20(24)23-15-6-2-1-3-7-15)12-16-10-11-19(27-16)17-8-4-5-9-18(17)21(25)26/h4-5,8-12,15H,1-3,6-7H2,(H,23,24)(H,25,26)/b14-12+