tert-butyl 5-butyl-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 5-butyl-1,3-dihydroisoindole-2-carboxylate Openeye Name: tert-butyl 5-butylisoindoline-2-carboxylate CAS Name: 5-butyl-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-butyl-1,3-dihydroisoindole-2-carboxylate Traditional Name: 5-butylisoindoline-2-carboxylic acid tert-butyl ester Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(CN(C2)C(=O)OC(C)(C)C)C=C1

Isomeric SMILES

CCCCC1=CC2=C(CN(C2)C(=O)OC(C)(C)C)C=C1

InChI

InChI=1S/C17H25NO2/c1-5-6-7-13-8-9-14-11-18(12-15(14)10-13)16(19)20-17(2,3)4/h8-10H,5-7,11-12H2,1-4H3