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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-quinolin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3-quinolyl)methyl]proline Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC4C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC4C(=O)O)Br)OC

InChI

InChI=1S/C23H23BrN2O4/c1-29-20-11-16(17(24)12-21(20)30-2)22(26-9-5-8-19(26)23(27)28)15-10-14-6-3-4-7-18(14)25-13-15/h3-4,6-7,10-13,19,22H,5,8-9H2,1-2H3,(H,27,28)