[4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] pentanoate

Systemtic Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] pentanoate Openeye Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] pentanoate CAS Name: pentanoic acid [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] pentanoate Traditional Name: valeric acid [4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=C(C=C1)C=C(C#N)C(=O)NCCCC

Isomeric SMILES

CCCCC(=O)OC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NCCCC

InChI

InChI=1S/C19H24N2O3/c1-3-5-7-18(22)24-17-10-8-15(9-11-17)13-16(14-20)19(23)21-12-6-4-2/h8-11,13H,3-7,12H2,1-2H3,(H,21,23)/b16-13+