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

Systemtic Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pentanoate Openeye Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pentanoate CAS Name: pentanoic acid [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] pentanoate Traditional Name: valeric acid [4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4/c1-4-6-8-19(23)26-17-10-9-15(13-18(17)25-3)12-16(14-21)20(24)22-11-7-5-2/h9-10,12-13H,4-8,11H2,1-3H3,(H,22,24)/b16-12+