1-[(5-bromanyl-2-methoxy-phenyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(m-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(m-tolyl)methyl]pipecolinic acid Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H24BrNO3/c1-14-6-5-7-15(12-14)20(17-13-16(22)9-10-19(17)26-2)23-11-4-3-8-18(23)21(24)25/h5-7,9-10,12-13,18,20H,3-4,8,11H2,1-2H3,(H,24,25)