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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(o-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(o-tolyl)methyl]pipecolinic acid Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=C(C=CC(=C2)Br)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=C(C=CC(=C2)Br)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H24BrNO3/c1-14-7-3-4-8-16(14)20(17-13-15(22)10-11-19(17)26-2)23-12-6-5-9-18(23)21(24)25/h3-4,7-8,10-11,13,18,20H,5-6,9,12H2,1-2H3,(H,24,25)