2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-2-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-2-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-1-carboxylic acid Openeye Name: 2-[[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-1-carboxylic acid CAS Name: 2-[[[1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-2-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-2-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid Traditional Name: 2-[[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-1-carboxylic acid Formula: C31H32N4O8S MolecularWeight: 620.67278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)OC4(CCCN4C(=O)O)C(=O)NC5(CC5C=C)C(=O)NS(=O)(=O)C6CC6

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)OC4(CCCN4C(=O)O)C(=O)NC5(CC5C=C)C(=O)NS(=O)(=O)C6CC6

InChI

InChI=1S/C31H32N4O8S/c1-3-20-18-30(20,27(36)34-44(40,41)22-11-12-22)33-28(37)31(14-7-15-35(31)29(38)39)43-26-17-24(19-8-5-4-6-9-19)32-25-16-21(42-2)10-13-23(25)26/h3-6,8-10,13,16-17,20,22H,1,7,11-12,14-15,18H2,2H3,(H,33,37)(H,34,36)(H,38,39)