1-[(5-bromanyl-2-methyl-phenyl)carbamoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methyl-phenyl)carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methyl-phenyl)carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methylanilino)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methylphenyl)carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methyl-phenyl)carbamoyl]isonipecotic acid Formula: C14H17BrN2O3 MolecularWeight: 341.20038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O3/c1-9-2-3-11(15)8-12(9)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)