[4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-propylphenoxy)ethanoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-propylphenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-propylphenoxy)acetate CAS Name: 2-(4-propylphenoxy)acetic acid [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] 2-(4-propylphenoxy)acetate Traditional Name: 2-(4-propylphenoxy)acetic acid [4-[(E)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCCC)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCCC)OC

InChI

InChI=1S/C25H28N2O5/c1-4-6-18-7-10-21(11-8-18)31-17-24(28)32-22-12-9-19(15-23(22)30-3)14-20(16-26)25(29)27-13-5-2/h7-12,14-15H,4-6,13,17H2,1-3H3,(H,27,29)/b20-14+