tert-butyl (E,2R)-22-(4-methoxyphenyl)-2,4-dimethyl-docos-3-enoate

Systemtic Name: tert-butyl (E,2R)-22-(4-methoxyphenyl)-2,4-dimethyl-docos-3-enoate Openeye Name: tert-butyl (E,2R)-22-(4-methoxyphenyl)-2,4-dimethyl-docos-3-enoate CAS Name: (E,2R)-22-(4-methoxyphenyl)-2,4-dimethyl-3-docosenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2R)-22-(4-methoxyphenyl)-2,4-dimethyldocos-3-enoate Traditional Name: (E,2R)-22-(4-methoxyphenyl)-2,4-dimethyl-docos-3-enoic acid tert-butyl ester Formula: C35H60O3 MolecularWeight: 528.8491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C)CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)OC)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](/C=C(\C)/CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H60O3/c1-30(29-31(2)34(36)38-35(3,4)5)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-32-25-27-33(37-6)28-26-32/h25-29,31H,7-24H2,1-6H3/b30-29+/t31-/m1/s1