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

Systemtic Name: tert-butyl (3S)-3-(1H-benzimidazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(1H-benzimidazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[(1H-benzimidazol-2-ylamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(1H-benzimidazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(1H-benzimidazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H24N4O3/c1-22(2,3)29-21(28)26-13-15-9-5-4-8-14(15)12-18(26)19(27)25-20-23-16-10-6-7-11-17(16)24-20/h4-11,18H,12-13H2,1-3H3,(H2,23,24,25,27)/t18-/m0/s1