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

Systemtic Name: tert-butyl 4-cyano-4-[4-[4-(4-hydroxyphenyl)-3-phenyl-pentan-2-yl]phenyl]butanoate Openeye Name: tert-butyl 4-cyano-4-[4-[3-(4-hydroxyphenyl)-1-methyl-2-phenyl-butyl]phenyl]butanoate CAS Name: 4-cyano-4-[4-[4-(4-hydroxyphenyl)-3-phenylpentan-2-yl]phenyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyano-4-[4-[4-(4-hydroxyphenyl)-3-phenylpentan-2-yl]phenyl]butanoate Traditional Name: 4-cyano-4-[4-[3-(4-hydroxyphenyl)-1-methyl-2-phenyl-butyl]phenyl]butyric acid tert-butyl ester Formula: C32H37NO3 MolecularWeight: 483.64108

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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)O

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)O

InChI

InChI=1S/C32H37NO3/c1-22(31(27-9-7-6-8-10-27)23(2)25-15-18-29(34)19-16-25)24-11-13-26(14-12-24)28(21-33)17-20-30(35)36-32(3,4)5/h6-16,18-19,22-23,28,31,34H,17,20H2,1-5H3