tert-butyl (3S)-3-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[2-(1H-benzimidazol-2-yl)ethylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H28N4O3/c1-24(2,3)31-23(30)28-15-17-9-5-4-8-16(17)14-20(28)22(29)25-13-12-21-26-18-10-6-7-11-19(18)27-21/h4-11,20H,12-15H2,1-3H3,(H,25,29)(H,26,27)/t20-/m0/s1