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

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-(2-bromo-4-isopropyl-phenoxy)butanoate CAS Name: 4-(2-bromo-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-(2-bromo-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-isopropyl-phenoxy)butyric acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H25BrN2O5 MolecularWeight: 501.3697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN2O5/c1-15(2)17-7-9-20(19(25)13-17)31-10-4-5-23(28)32-21-8-6-16(12-22(21)30-3)11-18(14-26)24(27)29/h6-9,11-13,15H,4-5,10H2,1-3H3,(H2,27,29)/b18-11+