ethyl 2-cyano-3-[(4-methoxyphenyl)methyl]-3-methyl-4-phenyl-butanoate

Systemtic Name: ethyl 2-cyano-3-[(4-methoxyphenyl)methyl]-3-methyl-4-phenyl-butanoate Openeye Name: ethyl 3-benzyl-2-cyano-4-(4-methoxyphenyl)-3-methyl-butanoate CAS Name: 2-cyano-3-[(4-methoxyphenyl)methyl]-3-methyl-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-cyano-4-(4-methoxyphenyl)-3-methylbutanoate Traditional Name: 3-benzyl-2-cyano-4-(4-methoxyphenyl)-3-methyl-butyric acid ethyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C)(CC1=CC=CC=C1)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(C#N)C(C)(CC1=CC=CC=C1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H25NO3/c1-4-26-21(24)20(16-23)22(2,14-17-8-6-5-7-9-17)15-18-10-12-19(25-3)13-11-18/h5-13,20H,4,14-15H2,1-3H3