tert-butyl (3S)-3-(1H-benzimidazol-2-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-(1H-benzimidazol-2-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(1H-benzimidazol-2-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(1H-benzimidazol-2-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(1H-benzimidazol-2-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H26N4O3/c1-23(2,3)30-22(29)27-14-16-9-5-4-8-15(16)12-19(27)21(28)24-13-20-25-17-10-6-7-11-18(17)26-20/h4-11,19H,12-14H2,1-3H3,(H,24,28)(H,25,26)/t19-/m0/s1