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

Systemtic Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-m-phenetyl-methyl]nipecotic acid Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O

InChI

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