ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxidanylidene-octanoate

Systemtic Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxidanylidene-octanoate Openeye Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxo-octanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxooctanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxooctanoate Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-3-keto-caprylic acid ethyl ester Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)OCC

InChI

InChI=1S/C24H27NO3/c1-3-5-6-11-23(26)22(24(27)28-4-2)16-18-12-14-19(15-13-18)21-10-8-7-9-20(21)17-25/h7-10,12-15,22H,3-6,11,16H2,1-2H3