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

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

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC3=CC=CC=C3C=C2)N4CCCCC4C(=O)O

InChI

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