1-[(5-bromanyl-2-ethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-phenylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-phenylphenyl)methyl]pipecolinic acid Formula: C27H28BrNO3 MolecularWeight: 494.42012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

InChI=1S/C27H28BrNO3/c1-2-32-25-16-15-22(28)18-23(25)26(29-17-7-6-10-24(29)27(30)31)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-5,8-9,11-16,18,24,26H,2,6-7,10,17H2,1H3,(H,30,31)