tert-butyl 3-butyl-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-butyl-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-butyl-1H-isoquinoline-2-carboxylate CAS Name: 3-butyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-butyl-1H-isoquinoline-2-carboxylate Traditional Name: 3-butyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

InChI

InChI=1S/C18H25NO2/c1-5-6-11-16-12-14-9-7-8-10-15(14)13-19(16)17(20)21-18(2,3)4/h7-10,12H,5-6,11,13H2,1-4H3