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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)N2CCC(CC2)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)N2CCC(CC2)C(=O)O)Br

InChI

InChI=1S/C14H17BrN2O3/c1-9-8-11(2-3-12(9)15)16-14(20)17-6-4-10(5-7-17)13(18)19/h2-3,8,10H,4-7H2,1H3,(H,16,20)(H,18,19)