1-[(5-bromanyl-2-methoxy-phenyl)-phenyl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-phenyl-methyl]nipecotic acid Formula: C20H22BrNO3 MolecularWeight: 404.29758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

InChI

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