1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]proline Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC3C(=O)O)C

InChI

InChI=1S/C22H26BrNO4/c1-13-8-14(2)10-15(9-13)21(24-7-5-6-18(24)22(25)26)16-11-19(27-3)20(28-4)12-17(16)23/h8-12,18,21H,5-7H2,1-4H3,(H,25,26)