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

Systemtic Name: 1-[(4-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(2-methoxyphenyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=C(C=C2)Br)N3CCC(CC3)C(=O)O

InChI

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