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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-dimethylaminophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(4-dimethylaminophenyl)methyl]proline Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O3/c1-4-28-20-12-9-16(23)14-18(20)21(25-13-5-6-19(25)22(26)27)15-7-10-17(11-8-15)24(2)3/h7-12,14,19,21H,4-6,13H2,1-3H3,(H,26,27)