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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C(C1C(=O)O)C(=O)N(CCC)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCCOC(=O)C1C(C(C1C(=O)O)C(=O)N(CCC)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

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