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

Systemtic Name: methyl 2-chloranyl-4-[5-[2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: methyl 2-chloro-4-[5-[2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 2-chloro-4-[5-[2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-[5-[2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 2-chloro-4-[5-[2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-furyl]benzoic acid methyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4/c1-28-22(27)18-9-7-14(12-19(18)23)20-10-8-17(29-20)11-15(13-24)21(26)25-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,25,26)