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

Systemtic Name: 1-[[2,6-bis(chloranyl)-3-methyl-phenyl]carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,6-dichloro-3-methyl-phenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dichloro-3-methylanilino)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dichloro-3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,6-dichloro-3-methyl-phenyl)carbamoyl]nipecotic acid Formula: C14H16Cl2N2O3 MolecularWeight: 331.19444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)N2CCCC(C2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)N2CCCC(C2)C(=O)O)Cl

InChI

InChI=1S/C14H16Cl2N2O3/c1-8-4-5-10(15)12(11(8)16)17-14(21)18-6-2-3-9(7-18)13(19)20/h4-5,9H,2-3,6-7H2,1H3,(H,17,21)(H,19,20)