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

Systemtic Name: (3R)-3-ethyl-2-[(1R)-2-oxidanyl-1-(4-phenylmethoxyphenyl)ethyl]-3H-isoindol-1-one Openeye Name: (3R)-2-[(1R)-1-(4-benzyloxyphenyl)-2-hydroxy-ethyl]-3-ethyl-isoindolin-1-one CAS Name: (3R)-3-ethyl-2-[(1R)-2-hydroxy-1-(4-phenylmethoxyphenyl)ethyl]-3H-isoindol-1-one IUPAC Name: (3R)-3-ethyl-2-[(1R)-2-hydroxy-1-(4-phenylmethoxyphenyl)ethyl]-3H-isoindol-1-one Traditional Name: (3R)-2-[(1R)-1-(4-benzoxyphenyl)-2-hydroxy-ethyl]-3-ethyl-isoindolin-1-one Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC=C2C(=O)N1C(CO)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3/c1-2-23-21-10-6-7-11-22(21)25(28)26(23)24(16-27)19-12-14-20(15-13-19)29-17-18-8-4-3-5-9-18/h3-15,23-24,27H,2,16-17H2,1H3/t23-,24+/m1/s1