3-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 3-[3-(3-chloranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-3-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]pyrrolidine-2-carboxylic acid CAS Name: 3-[3-(3-chloro-6-methoxy-4-quinolinyl)-3-hydroxypropyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-3-[3-(3-chloro-6-methoxy-4-quinolyl)-3-hydroxy-propyl]proline Formula: C23H29ClN2O6 MolecularWeight: 464.93916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1C(=O)O)CCC(C2=C3C=C(C=CC3=NC=C2Cl)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1C(=O)O)CCC(C2=C3C=C(C=CC3=NC=C2Cl)OC)O

InChI

InChI=1S/C23H29ClN2O6/c1-23(2,3)32-22(30)26-10-9-13(20(26)21(28)29)5-8-18(27)19-15-11-14(31-4)6-7-17(15)25-12-16(19)24/h6-7,11-13,18,20,27H,5,8-10H2,1-4H3,(H,28,29)