4-[3-[(1S,2S)-1-(4-hydroxyphenyl)-2-methyl-2-phenyl-butyl]phenoxy]butanoic acid

Systemtic Name: 4-[3-[(1S,2S)-1-(4-hydroxyphenyl)-2-methyl-2-phenyl-butyl]phenoxy]butanoic acid Openeye Name: 4-[3-[(1S,2S)-1-(4-hydroxyphenyl)-2-methyl-2-phenyl-butyl]phenoxy]butanoic acid CAS Name: 4-[3-[(1S,2S)-1-(4-hydroxyphenyl)-2-methyl-2-phenylbutyl]phenoxy]butanoic acid IUPAC Name: 4-[3-[(1S,2S)-1-(4-hydroxyphenyl)-2-methyl-2-phenylbutyl]phenoxy]butanoic acid Traditional Name: 4-[3-[(1S,2S)-1-(4-hydroxyphenyl)-2-methyl-2-phenyl-butyl]phenoxy]butyric acid Formula: C27H30O4 MolecularWeight: 418.5247

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=CC=CC=C1)C(C2=CC=C(C=C2)O)C3=CC(=CC=C3)OCCCC(=O)O

Isomeric SMILES

CC[C@](C)(C1=CC=CC=C1)[C@@H](C2=CC=C(C=C2)O)C3=CC(=CC=C3)OCCCC(=O)O

InChI

InChI=1S/C27H30O4/c1-3-27(2,22-10-5-4-6-11-22)26(20-14-16-23(28)17-15-20)21-9-7-12-24(19-21)31-18-8-13-25(29)30/h4-7,9-12,14-17,19,26,28H,3,8,13,18H2,1-2H3,(H,29,30)/t26-,27+/m0/s1