(3S)-4-methyl-3-oxidanyl-3-[2-(4-phenylmethoxyphenyl)ethyl]pentanal

Systemtic Name: (3S)-4-methyl-3-oxidanyl-3-[2-(4-phenylmethoxyphenyl)ethyl]pentanal Openeye Name: (3S)-3-[2-(4-benzyloxyphenyl)ethyl]-3-hydroxy-4-methyl-pentanal CAS Name: (3S)-3-hydroxy-4-methyl-3-[2-(4-phenylmethoxyphenyl)ethyl]pentanal IUPAC Name: (3S)-3-hydroxy-4-methyl-3-[2-(4-phenylmethoxyphenyl)ethyl]pentanal Traditional Name: (3S)-3-[2-(4-benzoxyphenyl)ethyl]-3-hydroxy-4-methyl-valeraldehyde Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC1=CC=C(C=C1)OCC2=CC=CC=C2)(CC=O)O

Isomeric SMILES

CC(C)[C@](CCC1=CC=C(C=C1)OCC2=CC=CC=C2)(CC=O)O

InChI

InChI=1S/C21H26O3/c1-17(2)21(23,14-15-22)13-12-18-8-10-20(11-9-18)24-16-19-6-4-3-5-7-19/h3-11,15,17,23H,12-14,16H2,1-2H3/t21-/m0/s1