tert-butyl 5-(phenylmethoxymethyl)-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 5-(phenylmethoxymethyl)-1,3-dihydroisoindole-2-carboxylate Openeye Name: tert-butyl 5-(benzyloxymethyl)isoindoline-2-carboxylate CAS Name: 5-(phenylmethoxymethyl)-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(phenylmethoxymethyl)-1,3-dihydroisoindole-2-carboxylate Traditional Name: 5-(benzoxymethyl)isoindoline-2-carboxylic acid tert-butyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)COCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)COCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO3/c1-21(2,3)25-20(23)22-12-18-10-9-17(11-19(18)13-22)15-24-14-16-7-5-4-6-8-16/h4-11H,12-15H2,1-3H3