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

Systemtic Name: 2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[(2,2-dimethyl-1-oxopropoxy)methoxy-oxomethyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2,3-bis[(4-phenoxybenzyl)-propyl-carbamoyl]-4-(pivaloyloxymethoxycarbonyl)cyclobutanecarboxylic acid Formula: C46H52N2O10 MolecularWeight: 792.91248

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

InChI

InChI=1S/C46H52N2O10/c1-6-26-47(28-31-18-22-35(23-19-31)57-33-14-10-8-11-15-33)41(49)37-38(40(39(37)43(51)52)44(53)55-30-56-45(54)46(3,4)5)42(50)48(27-7-2)29-32-20-24-36(25-21-32)58-34-16-12-9-13-17-34/h8-25,37-40H,6-7,26-30H2,1-5H3,(H,51,52)