tert-butyl 4-[4-[4-(4-acetyloxyphenyl)-3-phenyl-pentan-2-yl]phenyl]-4-cyano-butanoate

Systemtic Name: tert-butyl 4-[4-[4-(4-acetyloxyphenyl)-3-phenyl-pentan-2-yl]phenyl]-4-cyano-butanoate Openeye Name: tert-butyl 4-[4-[3-(4-acetoxyphenyl)-1-methyl-2-phenyl-butyl]phenyl]-4-cyano-butanoate CAS Name: 4-[4-[4-(4-acetyloxyphenyl)-3-phenylpentan-2-yl]phenyl]-4-cyanobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-(4-acetyloxyphenyl)-3-phenylpentan-2-yl]phenyl]-4-cyanobutanoate Traditional Name: 4-[4-[3-(4-acetoxyphenyl)-1-methyl-2-phenyl-butyl]phenyl]-4-cyano-butyric acid tert-butyl ester Formula: C34H39NO4 MolecularWeight: 525.67776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(CCC(=O)OC(C)(C)C)C#N)C(C2=CC=CC=C2)C(C)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)C(CCC(=O)OC(C)(C)C)C#N)C(C2=CC=CC=C2)C(C)C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C34H39NO4/c1-23(26-12-14-28(15-13-26)30(22-35)18-21-32(37)39-34(4,5)6)33(29-10-8-7-9-11-29)24(2)27-16-19-31(20-17-27)38-25(3)36/h7-17,19-20,23-24,30,33H,18,21H2,1-6H3