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

Systemtic Name: 1-[(3-bromophenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(4-ethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(4-ethylphenyl)methyl]nipecotic acid Formula: C21H24BrNO2 MolecularWeight: 402.32476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)Br)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H24BrNO2/c1-2-15-8-10-16(11-9-15)20(17-5-3-7-19(22)13-17)23-12-4-6-18(14-23)21(24)25/h3,5,7-11,13,18,20H,2,4,6,12,14H2,1H3,(H,24,25)