1-[1-(5-bromanyl-2-methoxy-phenyl)propyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(5-bromanyl-2-methoxy-phenyl)propyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(5-bromo-2-methoxy-phenyl)propyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(5-bromo-2-methoxyphenyl)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(5-bromo-2-methoxyphenyl)propyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(5-bromo-2-methoxy-phenyl)propyl]nipecotic acid Formula: C16H22BrNO3 MolecularWeight: 356.25478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)OC)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCC(C1=C(C=CC(=C1)Br)OC)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H22BrNO3/c1-3-14(13-9-12(17)6-7-15(13)21-2)18-8-4-5-11(10-18)16(19)20/h6-7,9,11,14H,3-5,8,10H2,1-2H3,(H,19,20)