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

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-(3-methyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-(4-isopropyl-3-methyl-phenoxy)butanoate CAS Name: 4-(3-methyl-4-propan-2-ylphenoxy)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-(3-methyl-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(4-isopropyl-3-methyl-phenoxy)butyric acid [4-[(E)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-16(2)21-9-8-20(12-17(21)3)31-11-5-6-24(28)32-22-10-7-18(14-23(22)30-4)13-19(15-26)25(27)29/h7-10,12-14,16H,5-6,11H2,1-4H3,(H2,27,29)/b19-13+