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

Systemtic Name: 1-[(3-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(2-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(2-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(2-methoxyphenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC(=CC=C2)Br)N3CCCCC3C(=O)O

InChI

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