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

Systemtic Name: 2-butan-2-yloxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-sec-butoxycarbonyl-cyclobutanecarboxylic acid CAS Name: 2-[butan-2-yloxy(oxo)methyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-butan-2-yloxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2,3-bis[(4-phenoxybenzyl)-propyl-carbamoyl]-4-sec-butoxycarbonyl-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)OC(C)CC)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)CC)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

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