1-(1-phenethylbenzimidazol-2-yl)piperidine-3-carboxylic acid

Systemtic Name: 1-(1-phenethylbenzimidazol-2-yl)piperidine-3-carboxylic acid Openeye Name: 1-(1-phenethylbenzimidazol-2-yl)piperidine-3-carboxylic acid CAS Name: 1-(1-phenethyl-2-benzimidazolyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(1-phenethylbenzimidazol-2-yl)piperidine-3-carboxylic acid Traditional Name: 1-(1-phenethylbenzimidazol-2-yl)nipecotic acid Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H23N3O2/c25-20(26)17-9-6-13-23(15-17)21-22-18-10-4-5-11-19(18)24(21)14-12-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,25,26)