4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-1-[3-methyl-2-(propylcarbamoylamino)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-1-[3-methyl-2-(propylcarbamoylamino)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]-1-[3-methyl-2-(propylcarbamoylamino)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-1-[3-methyl-1-oxo-2-[[oxo(propylamino)methyl]amino]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-[3-methyl-2-(propylcarbamoylamino)butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]-1-[3-methyl-2-(propylcarbamoylamino)butanoyl]proline Formula: C30H36N4O6 MolecularWeight: 548.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(C(C)C)C(=O)N1CC(CC1C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)NC(C(C)C)C(=O)N1CC(CC1C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C30H36N4O6/c1-5-13-31-30(38)33-27(18(2)3)28(35)34-17-21(15-25(34)29(36)37)40-26-16-23(19-9-7-6-8-10-19)32-24-14-20(39-4)11-12-22(24)26/h6-12,14,16,18,21,25,27H,5,13,15,17H2,1-4H3,(H,36,37)(H2,31,33,38)