3-oxidanyl-2-[(1R)-2-oxidanyl-1-(4-phenylmethoxyphenyl)ethyl]-3-propyl-isoindol-1-one

Systemtic Name: 3-oxidanyl-2-[(1R)-2-oxidanyl-1-(4-phenylmethoxyphenyl)ethyl]-3-propyl-isoindol-1-one Openeye Name: 2-[(1R)-1-(4-benzyloxyphenyl)-2-hydroxy-ethyl]-3-hydroxy-3-propyl-isoindolin-1-one CAS Name: 3-hydroxy-2-[(1R)-2-hydroxy-1-(4-phenylmethoxyphenyl)ethyl]-3-propyl-1-isoindolone IUPAC Name: 3-hydroxy-2-[(1R)-2-hydroxy-1-(4-phenylmethoxyphenyl)ethyl]-3-propylisoindol-1-one Traditional Name: 2-[(1R)-1-(4-benzoxyphenyl)-2-hydroxy-ethyl]-3-hydroxy-3-propyl-isoindolin-1-one Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=CC=CC=C2C(=O)N1C(CO)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

CCCC1(C2=CC=CC=C2C(=O)N1[C@@H](CO)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C26H27NO4/c1-2-16-26(30)23-11-7-6-10-22(23)25(29)27(26)24(17-28)20-12-14-21(15-13-20)31-18-19-8-4-3-5-9-19/h3-15,24,28,30H,2,16-18H2,1H3/t24-,26?/m0/s1