1-[4-(dimethylaminomethyl)phenyl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[4-(dimethylaminomethyl)phenyl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[4-(dimethylaminomethyl)benzoyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(dimethylaminomethyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(dimethylaminomethyl)benzoyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-(dimethylaminomethyl)benzoyl]nipecotic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H22N2O3/c1-17(2)10-12-5-7-13(8-6-12)15(19)18-9-3-4-14(11-18)16(20)21/h5-8,14H,3-4,9-11H2,1-2H3,(H,20,21)