[4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 4-(4-tert-butylphenoxy)butanoate

Systemtic Name: [4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 4-(4-tert-butylphenoxy)butanoate Openeye Name: [4-(3-amino-2-cyano-3-oxo-prop-1-enyl)-2-methoxy-phenyl] 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] ester IUPAC Name: [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid [4-(3-amino-2-cyano-3-keto-prop-1-enyl)-2-methoxy-phenyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

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