2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C44H50N2O8 MolecularWeight: 734.8764

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)(C)C)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)(C)C)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C44H50N2O8/c1-6-26-45(28-30-18-22-34(23-19-30)52-32-14-10-8-11-15-32)40(47)36-37(39(38(36)42(49)50)43(51)54-44(3,4)5)41(48)46(27-7-2)29-31-20-24-35(25-21-31)53-33-16-12-9-13-17-33/h8-25,36-39H,6-7,26-29H2,1-5H3,(H,49,50)