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

Systemtic Name: (3R)-2-[(1R)-2-oxidanyl-1-(4-phenylmethoxyphenyl)ethyl]-3-propyl-3H-isoindol-1-one Openeye Name: (3R)-2-[(1R)-1-(4-benzyloxyphenyl)-2-hydroxy-ethyl]-3-propyl-isoindolin-1-one CAS Name: (3R)-2-[(1R)-2-hydroxy-1-(4-phenylmethoxyphenyl)ethyl]-3-propyl-3H-isoindol-1-one IUPAC Name: (3R)-2-[(1R)-2-hydroxy-1-(4-phenylmethoxyphenyl)ethyl]-3-propyl-3H-isoindol-1-one Traditional Name: (3R)-2-[(1R)-1-(4-benzoxyphenyl)-2-hydroxy-ethyl]-3-propyl-isoindolin-1-one Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=CC=CC=C2C(=O)N1C(CO)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCC[C@@H]1C2=CC=CC=C2C(=O)N1[C@@H](CO)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27NO3/c1-2-8-24-22-11-6-7-12-23(22)26(29)27(24)25(17-28)20-13-15-21(16-14-20)30-18-19-9-4-3-5-10-19/h3-7,9-16,24-25,28H,2,8,17-18H2,1H3/t24-,25+/m1/s1