ethyl 2,2-bis[(2-cyanophenyl)methyl]-3-oxidanylidene-hexanoate

Systemtic Name: ethyl 2,2-bis[(2-cyanophenyl)methyl]-3-oxidanylidene-hexanoate Openeye Name: ethyl 2,2-bis[(2-cyanophenyl)methyl]-3-oxo-hexanoate CAS Name: 2,2-bis[(2-cyanophenyl)methyl]-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2,2-bis[(2-cyanophenyl)methyl]-3-oxohexanoate Traditional Name: 2,2-bis(2-cyanobenzyl)-3-keto-hexanoic acid ethyl ester Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC1=CC=CC=C1C#N)(CC2=CC=CC=C2C#N)C(=O)OCC

Isomeric SMILES

CCCC(=O)C(CC1=CC=CC=C1C#N)(CC2=CC=CC=C2C#N)C(=O)OCC

InChI

InChI=1S/C24H24N2O3/c1-3-9-22(27)24(23(28)29-4-2,14-18-10-5-7-12-20(18)16-25)15-19-11-6-8-13-21(19)17-26/h5-8,10-13H,3-4,9,14-15H2,1-2H3