[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-[4-(1,1-dimethylpropyl)phenoxy]butanoate CAS Name: 4-[4-(2-methylbutan-2-yl)phenoxy]butanoic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(4-tert-amylphenoxy)butyric acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5/c1-5-26(2,3)20-9-11-21(12-10-20)32-14-6-7-24(29)33-22-13-8-18(16-23(22)31-4)15-19(17-27)25(28)30/h8-13,15-16H,5-7,14H2,1-4H3,(H2,28,30)/b19-15+