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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=CC=C2Br)N3CCCCC3C(=O)O

InChI

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