[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] cyclopropanecarboxylate

Systemtic Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] cyclopropanecarboxylate Openeye Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [4-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OC(=O)C3CC3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2CCCCC2)OC(=O)C3CC3

InChI

InChI=1S/C21H24N2O4/c1-26-19-12-14(7-10-18(19)27-21(25)15-8-9-15)11-16(13-22)20(24)23-17-5-3-2-4-6-17/h7,10-12,15,17H,2-6,8-9H2,1H3,(H,23,24)/b16-11+