ethyl 2-[(2-bromanyl-3-cyano-4-phenyl-phenyl)methyl]-3-oxidanylidene-heptanoate

Systemtic Name: ethyl 2-[(2-bromanyl-3-cyano-4-phenyl-phenyl)methyl]-3-oxidanylidene-heptanoate Openeye Name: ethyl 2-[(2-bromo-3-cyano-4-phenyl-phenyl)methyl]-3-oxo-heptanoate CAS Name: 2-[(2-bromo-3-cyano-4-phenylphenyl)methyl]-3-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromo-3-cyano-4-phenylphenyl)methyl]-3-oxoheptanoate Traditional Name: 2-(2-bromo-3-cyano-4-phenyl-benzyl)-3-keto-enanthic acid ethyl ester Formula: C23H24BrNO3 MolecularWeight: 442.34556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC1=C(C(=C(C=C1)C2=CC=CC=C2)C#N)Br)C(=O)OCC

Isomeric SMILES

CCCCC(=O)C(CC1=C(C(=C(C=C1)C2=CC=CC=C2)C#N)Br)C(=O)OCC

InChI

InChI=1S/C23H24BrNO3/c1-3-5-11-21(26)19(23(27)28-4-2)14-17-12-13-18(20(15-25)22(17)24)16-9-7-6-8-10-16/h6-10,12-13,19H,3-5,11,14H2,1-2H3