2-[2-(cyanomethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethanoic acid

Systemtic Name: 2-[2-(cyanomethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethanoic acid Openeye Name: 2-[2-(cyanomethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]acetic acid CAS Name: 2-[2-(cyanomethyl)-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]cyclobutyl]acetic acid IUPAC Name: 2-[2-(cyanomethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutyl]acetic acid Traditional Name: 2-[2-(cyanomethyl)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutyl]acetic acid Formula: C42H45N3O6 MolecularWeight: 687.8232

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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)CC(=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)CC(=O)O)CC#N

InChI

InChI=1S/C42H45N3O6/c1-3-25-44(28-30-15-19-34(20-16-30)50-32-11-7-5-8-12-32)41(48)39-36(23-24-43)37(27-38(46)47)40(39)42(49)45(26-4-2)29-31-17-21-35(22-18-31)51-33-13-9-6-10-14-33/h5-22,36-37,39-40H,3-4,23,25-29H2,1-2H3,(H,46,47)