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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-naphthalen-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-naphthyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2-naphthalenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-naphthalen-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-naphthyl)methyl]pipecolinic 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=CC3=CC=CC=C3C=C2)N4CCCCC4C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC3=CC=CC=C3C=C2)N4CCCCC4C(=O)O

InChI

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