(2S)-2-[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]propanoate

Systemtic Name: (2S)-2-[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]propanoate Openeye Name: (2S)-2-[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]phenoxy]propanoate CAS Name: (2S)-2-[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]phenoxy]propanoate IUPAC Name: (2S)-2-[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]phenoxy]propanoate Traditional Name: (2S)-2-[4-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]phenoxy]propionate Formula: C19H21N2O4- MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=C(C=C1)C=C(C#N)C(=O)NC2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2CCCCC2

InChI

InChI=1S/C19H22N2O4/c1-13(19(23)24)25-17-9-7-14(8-10-17)11-15(12-20)18(22)21-16-5-3-2-4-6-16/h7-11,13,16H,2-6H2,1H3,(H,21,22)(H,23,24)/p-1/b15-11+/t13-/m0/s1