tert-butyl 3-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylate CAS Name: 3-[(tert-butylamino)-oxomethyl]-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylate Traditional Name: 3-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

InChI

InChI=1S/C19H26N2O3/c1-18(2,3)20-16(22)15-11-13-9-7-8-10-14(13)12-21(15)17(23)24-19(4,5)6/h7-11H,12H2,1-6H3,(H,20,22)