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

Systemtic Name: 2-(2-methylpropoxycarbonyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-isobutoxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[2-methylpropoxy(oxo)methyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-(2-methylpropoxycarbonyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-isobutoxycarbonyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C44H50N2O8 MolecularWeight: 734.8764

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

InChI

InChI=1S/C44H50N2O8/c1-5-25-45(27-31-17-21-35(22-18-31)53-33-13-9-7-10-14-33)41(47)37-38(40(39(37)43(49)50)44(51)52-29-30(3)4)42(48)46(26-6-2)28-32-19-23-36(24-20-32)54-34-15-11-8-12-16-34/h7-24,30,37-40H,5-6,25-29H2,1-4H3,(H,49,50)