1-[(5-bromanyl-2-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,5-dimethylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]proline Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=CC(=C2)C)C)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC(=CC(=C2)C)C)N3CCCC3C(=O)O

InChI

InChI=1S/C22H26BrNO3/c1-4-27-20-8-7-17(23)13-18(20)21(16-11-14(2)10-15(3)12-16)24-9-5-6-19(24)22(25)26/h7-8,10-13,19,21H,4-6,9H2,1-3H3,(H,25,26)