4-[5-[2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[5-[2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]-3-methyl-benzoic acid Openeye Name: 4-[5-[2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-furyl]-3-methyl-benzoic acid CAS Name: 4-[5-[2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-furanyl]-3-methylbenzoic acid IUPAC Name: 4-[5-[2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoic acid Traditional Name: 4-[5-[2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-furyl]-3-methyl-benzoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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