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

Systemtic Name: 2-(butanoyloxymethoxycarbonyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-(butanoyloxymethoxycarbonyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[oxo(1-oxobutoxymethoxy)methyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-(butanoyloxymethoxycarbonyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-(butyryloxymethoxycarbonyl)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C45H50N2O10 MolecularWeight: 778.8859

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCOC(=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

CCCC(=O)OCOC(=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/C45H50N2O10/c1-4-13-37(48)54-30-55-45(53)41-39(43(50)47(27-6-3)29-32-20-24-36(25-21-32)57-34-16-11-8-12-17-34)38(40(41)44(51)52)42(49)46(26-5-2)28-31-18-22-35(23-19-31)56-33-14-9-7-10-15-33/h7-12,14-25,38-41H,4-6,13,26-30H2,1-3H3,(H,51,52)