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

Systemtic Name: 1-[2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(tert-butylamino)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]proline Formula: C32H40N4O6 MolecularWeight: 576.6832

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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)NC(C)(C)C

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)NC(C)(C)C

InChI

InChI=1S/C32H40N4O6/c1-31(2,3)27(34-30(40)35-32(4,5)6)28(37)36-18-21(16-25(36)29(38)39)42-26-17-23(19-11-9-8-10-12-19)33-24-15-20(41-7)13-14-22(24)26/h8-15,17,21,25,27H,16,18H2,1-7H3,(H,38,39)(H2,34,35,40)