(phenylmethyl) (2S)-2-[6-[3-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[6-[3-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-[3-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-[3-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-[3-(cyclopropylcarbamoyl)-2-methylphenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-[3-(cyclopropylcarbamoyl)-2-methyl-phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C30H30N4O3 MolecularWeight: 494.5842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)NC2CC2)C3=CC4=C(C=C3)N=C(N4)C5CCCN5C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=CC=C1C(=O)NC2CC2)C3=CC4=C(C=C3)N=C(N4)[C@@H]5CCCN5C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C30H30N4O3/c1-19-23(9-5-10-24(19)29(35)31-22-13-14-22)21-12-15-25-26(17-21)33-28(32-25)27-11-6-16-34(27)30(36)37-18-20-7-3-2-4-8-20/h2-5,7-10,12,15,17,22,27H,6,11,13-14,16,18H2,1H3,(H,31,35)(H,32,33)/t27-/m0/s1