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

Systemtic Name: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-m-phenetyl-methyl]isonipecotic acid Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H24BrNO3/c1-2-26-19-8-4-6-17(14-19)20(16-5-3-7-18(22)13-16)23-11-9-15(10-12-23)21(24)25/h3-8,13-15,20H,2,9-12H2,1H3,(H,24,25)