methyl (3R,4S)-4-(4-chlorophenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-3-carboxylate

Systemtic Name: methyl (3R,4S)-4-(4-chlorophenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-3-carboxylate Openeye Name: methyl (3R,4S)-4-(4-chlorophenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-3-carboxylate CAS Name: (3R,4S)-4-(4-chlorophenyl)-1-[(1-methyl-2-benzimidazolyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-(4-chlorophenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-3-carboxylate Traditional Name: (3R,4S)-4-(4-chlorophenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN3CC(C(C3)C(=O)OC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN3C[C@@H]([C@H](C3)C(=O)OC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-24-19-6-4-3-5-18(19)23-20(24)13-25-11-16(17(12-25)21(26)27-2)14-7-9-15(22)10-8-14/h3-10,16-17H,11-13H2,1-2H3/t16-,17+/m1/s1