[(1S,3R)-1,3-dimethyl-1,3-diphenyl-isoindol-2-yl] (2R)-2-methoxy-2-phenyl-ethanoate

Systemtic Name: [(1S,3R)-1,3-dimethyl-1,3-diphenyl-isoindol-2-yl] (2R)-2-methoxy-2-phenyl-ethanoate Openeye Name: [(1R,3S)-1,3-dimethyl-1,3-diphenyl-isoindolin-2-yl] (2R)-2-methoxy-2-phenyl-acetate CAS Name: (2R)-2-methoxy-2-phenylacetic acid [(1S,3R)-1,3-dimethyl-1,3-diphenyl-2-isoindolyl] ester IUPAC Name: [(1S,3R)-1,3-dimethyl-1,3-diphenylisoindol-2-yl] (2R)-2-methoxy-2-phenylacetate Traditional Name: (2R)-2-methoxy-2-phenyl-acetic acid [(1R,3S)-1,3-dimethyl-1,3-diphenyl-isoindolin-2-yl] ester Formula: C31H29NO3 MolecularWeight: 463.56686

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(N1OC(=O)C(C3=CC=CC=C3)OC)(C)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[C@]1(C2=CC=CC=C2[C@](N1OC(=O)[C@@H](C3=CC=CC=C3)OC)(C)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H29NO3/c1-30(24-17-9-5-10-18-24)26-21-13-14-22-27(26)31(2,25-19-11-6-12-20-25)32(30)35-29(33)28(34-3)23-15-7-4-8-16-23/h4-22,28H,1-3H3/t28-,30-,31+/m1/s1