1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(m-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(m-tolyl)methyl]nipecotic acid Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H26BrNO4/c1-14-6-4-7-15(10-14)21(24-9-5-8-16(13-24)22(25)26)17-11-19(27-2)20(28-3)12-18(17)23/h4,6-7,10-12,16,21H,5,8-9,13H2,1-3H3,(H,25,26)