1-[(4-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

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