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

Systemtic Name: tert-butyl (3S)-3-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]-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(C1=NC2=CC=CC=C2N1)NC(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)[C@@H]3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

InChI

InChI=1S/C24H28N4O3/c1-15(21-26-18-11-7-8-12-19(18)27-21)25-22(29)20-13-16-9-5-6-10-17(16)14-28(20)23(30)31-24(2,3)4/h5-12,15,20H,13-14H2,1-4H3,(H,25,29)(H,26,27)/t15-,20-/m0/s1