2-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate

Systemtic Name: 2-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate Openeye Name: 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylate CAS Name: 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylate IUPAC Name: 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylate Traditional Name: 2-(2-keto-3H-1,3,4-oxadiazol-5-yl)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylate Formula: C41H41N4O8- MolecularWeight: 717.78624

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)[O-])C6=NNC(=O)O6

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)[O-])C6=NNC(=O)O6

InChI

InChI=1S/C41H42N4O8/c1-3-23-44(25-27-15-19-31(20-16-27)51-29-11-7-5-8-12-29)38(46)34-33(37-42-43-41(50)53-37)36(40(48)49)35(34)39(47)45(24-4-2)26-28-17-21-32(22-18-28)52-30-13-9-6-10-14-30/h5-22,33-36H,3-4,23-26H2,1-2H3,(H,43,50)(H,48,49)/p-1