1-[(3-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(2-methoxyphenyl)methyl]nipecotic acid Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H22BrNO3/c1-25-18-10-3-2-9-17(18)19(14-6-4-8-16(21)12-14)22-11-5-7-15(13-22)20(23)24/h2-4,6,8-10,12,15,19H,5,7,11,13H2,1H3,(H,23,24)