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

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

Click to see the large picture

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)NC(C)C)OC

Isomeric SMILES

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

InChI

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