1-[(5-bromanyl-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,6-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=C2OC)OC)N3CCCC3C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=C(C=CC=C2OC)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C22H26BrNO5/c1-4-29-17-11-10-14(23)13-15(17)21(24-12-6-7-16(24)22(25)26)20-18(27-2)8-5-9-19(20)28-3/h5,8-11,13,16,21H,4,6-7,12H2,1-3H3,(H,25,26)