1-[3,3-dimethyl-2-(oxan-4-ylcarbonylamino)butanoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3,3-dimethyl-2-(oxan-4-ylcarbonylamino)butanoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[3,3-dimethyl-2-(tetrahydropyran-4-carbonylamino)butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[3,3-dimethyl-2-[[4-oxanyl(oxo)methyl]amino]-1-oxobutyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3,3-dimethyl-2-(oxane-4-carbonylamino)butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-[3,3-dimethyl-2-(tetrahydropyran-4-carbonylamino)butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]proline Formula: C33H39N3O7 MolecularWeight: 589.67866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4)NC(=O)C5CCOCC5

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4)NC(=O)C5CCOCC5

InChI

InChI=1S/C33H39N3O7/c1-33(2,3)29(35-30(37)21-12-14-42-15-13-21)31(38)36-19-23(17-27(36)32(39)40)43-28-18-25(20-8-6-5-7-9-20)34-26-16-22(41-4)10-11-24(26)28/h5-11,16,18,21,23,27,29H,12-15,17,19H2,1-4H3,(H,35,37)(H,39,40)