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

Systemtic Name: 1-[2-(2-chloranylethanoylamino)-3,3-dimethyl-butanoyl]-2-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(2-chloroacetyl)amino]-3,3-dimethyl-butanoyl]-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(2-chloro-1-oxoethyl)amino]-3,3-dimethyl-1-oxobutyl]-2-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(2-chloroacetyl)amino]-3,3-dimethylbutanoyl]-2-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(2-chloroacetyl)amino]-3,3-dimethyl-butanoyl]-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]proline Formula: C29H32ClN3O6 MolecularWeight: 554.03388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32ClN3O6/c1-28(2,3)25(32-24(34)17-30)26(35)33-14-8-13-29(33,27(36)37)39-23-16-21(18-9-6-5-7-10-18)31-22-15-19(38-4)11-12-20(22)23/h5-7,9-12,15-16,25H,8,13-14,17H2,1-4H3,(H,32,34)(H,36,37)