[4-[(Z)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 4-(4-propylphenoxy)butanoate

Systemtic Name: [4-[(Z)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 4-(4-propylphenoxy)butanoate Openeye Name: [4-[(Z)-3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-(4-propylphenoxy)butanoate CAS Name: 4-(4-propylphenoxy)butanoic acid [4-[(Z)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 4-(4-propylphenoxy)butanoate Traditional Name: 4-(4-propylphenoxy)butyric acid [4-[(Z)-3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)/C=C(/C#N)\C(=O)NCC=C)OC

InChI

InChI=1S/C27H30N2O5/c1-4-7-20-9-12-23(13-10-20)33-16-6-8-26(30)34-24-14-11-21(18-25(24)32-3)17-22(19-28)27(31)29-15-5-2/h5,9-14,17-18H,2,4,6-8,15-16H2,1,3H3,(H,29,31)/b22-17-