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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H24BrNO3/c1-2-26-19-11-7-16(8-12-19)20(15-5-9-18(22)10-6-15)23-13-3-4-17(14-23)21(24)25/h5-12,17,20H,2-4,13-14H2,1H3,(H,24,25)