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

Systemtic Name: 2-(cyanomethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate Openeye Name: 2-(cyanomethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylate CAS Name: 2-(cyanomethyl)-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylate IUPAC Name: 2-(cyanomethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylate Traditional Name: 2-(cyanomethyl)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylate Formula: C41H42N3O6- MolecularWeight: 672.78868

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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-])CC#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-])CC#N

InChI

InChI=1S/C41H43N3O6/c1-3-25-43(27-29-15-19-33(20-16-29)49-31-11-7-5-8-12-31)39(45)36-35(23-24-42)37(41(47)48)38(36)40(46)44(26-4-2)28-30-17-21-34(22-18-30)50-32-13-9-6-10-14-32/h5-22,35-38H,3-4,23,25-28H2,1-2H3,(H,47,48)/p-1