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

Systemtic Name: ethyl 2-[(2-cyano-4-phenyl-phenyl)methyl]-3-oxidanylidene-heptanoate Openeye Name: ethyl 2-[(2-cyano-4-phenyl-phenyl)methyl]-3-oxo-heptanoate CAS Name: 2-[(2-cyano-4-phenylphenyl)methyl]-3-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-cyano-4-phenylphenyl)methyl]-3-oxoheptanoate Traditional Name: 2-(2-cyano-4-phenyl-benzyl)-3-keto-enanthic acid ethyl ester Formula: C23H25NO3 MolecularWeight: 363.4495

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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)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3/c1-3-5-11-22(25)21(23(26)27-4-2)15-19-13-12-18(14-20(19)16-24)17-9-7-6-8-10-17/h6-10,12-14,21H,3-5,11,15H2,1-2H3