1-[(2-bromanyl-4-methyl-phenyl)carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4-methyl-phenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4-methyl-phenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4-methylanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4-methyl-phenyl)carbamoyl]nipecotic acid Formula: C14H17BrN2O3 MolecularWeight: 341.20038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N2CCCC(C2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N2CCCC(C2)C(=O)O)Br

InChI

InChI=1S/C14H17BrN2O3/c1-9-4-5-12(11(15)7-9)16-14(20)17-6-2-3-10(8-17)13(18)19/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,20)(H,18,19)