2-(1-methoxy-2-oxidanyl-2-oxidanylidene-ethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid

Systemtic Name: 2-(1-methoxy-2-oxidanyl-2-oxidanylidene-ethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-(2-hydroxy-1-methoxy-2-oxo-ethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[(2-hydroxy-1-methoxy-2-oxoethoxy)-oxomethyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-(2-hydroxy-1-methoxy-2-oxoethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-(2-hydroxy-2-keto-1-methoxy-ethoxy)carbonyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C43H46N2O11 MolecularWeight: 766.83214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)OC(C(=O)O)OC)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)OC(C(=O)O)OC)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C43H46N2O11/c1-4-24-44(26-28-16-20-32(21-17-28)54-30-12-8-6-9-13-30)38(46)34-35(37(36(34)40(48)49)42(52)56-43(53-3)41(50)51)39(47)45(25-5-2)27-29-18-22-33(23-19-29)55-31-14-10-7-11-15-31/h6-23,34-37,43H,4-5,24-27H2,1-3H3,(H,48,49)(H,50,51)