[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-chloranylbenzoate

Systemtic Name: [4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-chloranylbenzoate Openeye Name: [4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(Z)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2CCCCC2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H25ClN2O4/c1-2-31-23-15-17(14-19(16-27)24(29)28-21-6-4-3-5-7-21)8-13-22(23)32-25(30)18-9-11-20(26)12-10-18/h8-15,21H,2-7H2,1H3,(H,28,29)/b19-14-