1-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromo-2,6-dimethylanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]nipecotic acid Formula: C15H19BrN2O3 MolecularWeight: 355.22696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)N2CCCC(C2)C(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)N2CCCC(C2)C(=O)O)C)Br

InChI

InChI=1S/C15H19BrN2O3/c1-9-6-12(16)7-10(2)13(9)17-15(21)18-5-3-4-11(8-18)14(19)20/h6-7,11H,3-5,8H2,1-2H3,(H,17,21)(H,19,20)