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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(1-naphthyl)methyl]isonipecotic acid Formula: C25H26BrNO3 MolecularWeight: 468.38284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H26BrNO3/c1-2-30-23-11-10-19(26)16-22(23)24(27-14-12-18(13-15-27)25(28)29)21-9-5-7-17-6-3-4-8-20(17)21/h3-11,16,18,24H,2,12-15H2,1H3,(H,28,29)