(phenylmethyl) 3-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[(tert-butylamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-22(2,3)23-20(25)19-13-17-11-7-8-12-18(17)14-24(19)21(26)27-15-16-9-5-4-6-10-16/h4-12,19H,13-15H2,1-3H3,(H,23,25)