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

Systemtic Name: 1-[[2,6-bis(bromanyl)-4-methyl-phenyl]carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,6-dibromo-4-methyl-phenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dibromo-4-methylanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dibromo-4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,6-dibromo-4-methyl-phenyl)carbamoyl]nipecotic acid Formula: C14H16Br2N2O3 MolecularWeight: 420.09644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16Br2N2O3/c1-8-5-10(15)12(11(16)6-8)17-14(21)18-4-2-3-9(7-18)13(19)20/h5-6,9H,2-4,7H2,1H3,(H,17,21)(H,19,20)