2-cyano-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate

Systemtic Name: 2-cyano-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate Openeye Name: 2-cyano-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylate CAS Name: 2-cyano-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylate IUPAC Name: 2-cyano-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylate Traditional Name: 2-cyano-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylate Formula: C40H40N3O6- MolecularWeight: 658.7621

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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-])C#N

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-])C#N

InChI

InChI=1S/C40H41N3O6/c1-3-23-42(26-28-15-19-32(20-16-28)48-30-11-7-5-8-12-30)38(44)35-34(25-41)36(40(46)47)37(35)39(45)43(24-4-2)27-29-17-21-33(22-18-29)49-31-13-9-6-10-14-31/h5-22,34-37H,3-4,23-24,26-27H2,1-2H3,(H,46,47)/p-1