1-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-bromo-2-chloro-anilino)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(4-bromo-2-chloro-anilino)-2-keto-ethyl]nipecotic acid Formula: C14H16BrClN2O3 MolecularWeight: 375.64544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NC2=C(C=C(C=C2)Br)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC(=O)NC2=C(C=C(C=C2)Br)Cl)C(=O)O

InChI

InChI=1S/C14H16BrClN2O3/c15-10-3-4-12(11(16)6-10)17-13(19)8-18-5-1-2-9(7-18)14(20)21/h3-4,6,9H,1-2,5,7-8H2,(H,17,19)(H,20,21)