methyl 4-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]amino]benzoate

Systemtic Name: methyl 4-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]amino]benzoate Openeye Name: methyl 4-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]amino]benzoate Traditional Name: 4-[[(Z)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]amino]benzoic acid methyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC=C(C#N)C(=O)NC2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N/C=C(/C#N)\C(=O)NC2CCCCC2

InChI

InChI=1S/C18H21N3O3/c1-24-18(23)13-7-9-15(10-8-13)20-12-14(11-19)17(22)21-16-5-3-2-4-6-16/h7-10,12,16,20H,2-6H2,1H3,(H,21,22)/b14-12-