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

Systemtic Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxidanylidene-heptanoate Openeye Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxo-heptanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxoheptanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxoheptanoate Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-3-keto-enanthic acid methyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)OC

Isomeric SMILES

CCCCC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)OC

InChI

InChI=1S/C22H23NO3/c1-3-4-9-21(24)20(22(25)26-2)14-16-10-12-17(13-11-16)19-8-6-5-7-18(19)15-23/h5-8,10-13,20H,3-4,9,14H2,1-2H3