1-(2-azanyl-3,3-dimethyl-butanoyl)-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]proline Formula: C27H31N3O5 MolecularWeight: 477.55214

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O5/c1-27(2,3)24(28)25(31)30-15-18(13-22(30)26(32)33)35-23-14-20(16-8-6-5-7-9-16)29-21-12-17(34-4)10-11-19(21)23/h5-12,14,18,22,24H,13,15,28H2,1-4H3,(H,32,33)