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

Systemtic Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxidanylidene-4-phenylmethoxy-butanoate Openeye Name: ethyl 4-benzyloxy-2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxo-butanoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxo-4-phenylmethoxybutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxo-4-phenylmethoxybutanoate Traditional Name: 4-benzoxy-2-[4-(2-cyanophenyl)benzyl]-3-keto-butyric acid ethyl ester Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)COCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C27H25NO4/c1-2-32-27(30)25(26(29)19-31-18-21-8-4-3-5-9-21)16-20-12-14-22(15-13-20)24-11-7-6-10-23(24)17-28/h3-15,25H,2,16,18-19H2,1H3