methyl 1-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 1-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylate CAS Name: 1-[(tert-butylamino)-oxomethyl]-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylate Traditional Name: 1-(tert-butylcarbamoyl)-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1C2=CC=CC=C2C=CN1C(=O)OC

Isomeric SMILES

CC(C)(C)NC(=O)C1C2=CC=CC=C2C=CN1C(=O)OC

InChI

InChI=1S/C16H20N2O3/c1-16(2,3)17-14(19)13-12-8-6-5-7-11(12)9-10-18(13)15(20)21-4/h5-10,13H,1-4H3,(H,17,19)