tert-butyl 1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1H-isoquinoline-2-carboxylate CAS Name: 1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1H-isoquinoline-2-carboxylate Traditional Name: 1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C=C1

InChI

InChI=1S/C14H17NO2/c1-14(2,3)17-13(16)15-9-8-11-6-4-5-7-12(11)10-15/h4-9H,10H2,1-3H3