1-[(5-bromanyl-2-methoxy-phenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(o-tolyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=C(C=CC(=C2)Br)OC)N3CCC(CC3)C(=O)O

InChI

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