methyl 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoate CAS Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoate Traditional Name: 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H19N3O3/c1-26-20(25)14-10-8-13(9-11-14)19(24)23-12-4-7-17(23)18-21-15-5-2-3-6-16(15)22-18/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,21,22)/t17-/m0/s1