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

Systemtic Name: 5-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 5-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 5-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 5-[5-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 5-[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=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3CCCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3CCCCC3)C(=O)O

InChI

InChI=1S/C22H22N2O4/c1-14-7-8-15(12-19(14)22(26)27)20-10-9-18(28-20)11-16(13-23)21(25)24-17-5-3-2-4-6-17/h7-12,17H,2-6H2,1H3,(H,24,25)(H,26,27)/b16-11+