methyl 2-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-benzylpyrrolidin-2-yl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[(2S)-1-benzylpyrrolidin-2-yl]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(N2)C3CCCN3CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(N2)[C@@H]3CCCN3CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2/c1-25-20(24)15-9-10-16-17(12-15)22-19(21-16)18-8-5-11-23(18)13-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3,(H,21,22)/t18-/m0/s1