1-[(5-chloranyl-2-methoxy-phenyl)-quinolin-4-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-quinolin-4-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(4-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(4-quinolyl)methyl]proline Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC=NC3=CC=CC=C23)N4CCCC4C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=NC3=CC=CC=C23)N4CCCC4C(=O)O

InChI

InChI=1S/C22H21ClN2O3/c1-28-20-9-8-14(23)13-17(20)21(25-12-4-7-19(25)22(26)27)16-10-11-24-18-6-3-2-5-15(16)18/h2-3,5-6,8-11,13,19,21H,4,7,12H2,1H3,(H,26,27)