4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]carbonylbenzoic acid

Systemtic Name: 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]carbonylbenzoic acid Openeye Name: 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid CAS Name: 4-[[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid Traditional Name: 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)C(=O)O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)C(=O)O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H17N3O3/c23-18(12-7-9-13(10-8-12)19(24)25)22-11-3-6-16(22)17-20-14-4-1-2-5-15(14)21-17/h1-2,4-5,7-10,16H,3,6,11H2,(H,20,21)(H,24,25)/t16-/m0/s1