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

Systemtic Name: 3-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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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)NC3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3CCCCC3

InChI

InChI=1S/C22H22N2O4/c1-14-18(8-5-9-19(14)22(26)27)20-11-10-17(28-20)12-15(13-23)21(25)24-16-6-3-2-4-7-16/h5,8-12,16H,2-4,6-7H2,1H3,(H,24,25)(H,26,27)/b15-12+