[4-[2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-(4-methylphenoxy)butanoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 4-(4-methylphenoxy)butanoate Openeye Name: [4-[2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid [4-[2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid [4-[2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC(C)C)OC

InChI

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