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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]proline Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO5/c1-4-29-20-9-7-14(23)12-16(20)21(24-11-5-6-18(24)22(25)26)17-13-15(27-2)8-10-19(17)28-3/h7-10,12-13,18,21H,4-6,11H2,1-3H3,(H,25,26)