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

Systemtic Name: 2-(2-azanyl-3,3-dimethyl-butanoyl)-1-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-amino-3,3-dimethyl-butanoyl)-1-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-3,3-dimethyl-1-oxobutyl)-1-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-amino-3,3-dimethylbutanoyl)-1-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 2-(2-amino-3,3-dimethyl-butanoyl)-1-[(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)C1(CCCN1OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4)C(=O)O)N

Isomeric SMILES

CC(C)(C)C(C(=O)C1(CCCN1OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4)C(=O)O)N

InChI

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