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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-quinolin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-quinolyl)methyl]proline Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O3/c1-28-20-9-8-16(23)12-17(20)21(25-10-4-7-19(25)22(26)27)15-11-14-5-2-3-6-18(14)24-13-15/h2-3,5-6,8-9,11-13,19,21H,4,7,10H2,1H3,(H,26,27)