1-[(5-bromanyl-2-methoxy-phenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(4-dimethylaminophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-dimethylaminophenyl)methyl]proline Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3/c1-23(2)16-9-6-14(7-10-16)20(24-12-4-5-18(24)21(25)26)17-13-15(22)8-11-19(17)27-3/h6-11,13,18,20H,4-5,12H2,1-3H3,(H,25,26)