1-[(5-bromanyl-2-methoxy-phenyl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-naphthyl)methyl]isonipecotic acid Formula: C24H24BrNO3 MolecularWeight: 454.35626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H24BrNO3/c1-29-22-9-8-20(25)15-21(22)23(26-12-10-17(11-13-26)24(27)28)19-7-6-16-4-2-3-5-18(16)14-19/h2-9,14-15,17,23H,10-13H2,1H3,(H,27,28)