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

Systemtic Name: 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]-2-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(3,3-dimethyl-1-oxobutyl)amino]-3,3-dimethyl-1-oxobutyl]-2-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethylbutanoyl]-2-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]proline Formula: C33H41N3O6 MolecularWeight: 575.69514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC(C(=O)N1CCCC1(C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)NC(C(=O)N1CCCC1(C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C33H41N3O6/c1-31(2,3)20-27(37)35-28(32(4,5)6)29(38)36-17-11-16-33(36,30(39)40)42-26-19-24(21-12-9-8-10-13-21)34-25-18-22(41-7)14-15-23(25)26/h8-10,12-15,18-19,28H,11,16-17,20H2,1-7H3,(H,35,37)(H,39,40)