1-[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[3-(9-azaspiro[5.5]undecan-3-ylcarbonyl)phenyl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[3-(9-azaspiro[5.5]undecane-3-carbonyl)benzoyl]piperidine-3-carboxylic acid CAS Name: 1-[[3-[9-azaspiro[5.5]undecan-3-yl(oxo)methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(9-azaspiro[5.5]undecane-3-carbonyl)benzoyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(9-azaspiro[5.5]undecane-3-carbonyl)benzoyl]nipecotic acid Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CC(=C2)C(=O)C3CCC4(CC3)CCNCC4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CC(=C2)C(=O)C3CCC4(CC3)CCNCC4)C(=O)O

InChI

InChI=1S/C24H32N2O4/c27-21(17-6-8-24(9-7-17)10-12-25-13-11-24)18-3-1-4-19(15-18)22(28)26-14-2-5-20(16-26)23(29)30/h1,3-4,15,17,20,25H,2,5-14,16H2,(H,29,30)