2-(1-cyclohexyl-2-oxidanyl-2-oxidanylidene-ethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid

Systemtic Name: 2-(1-cyclohexyl-2-oxidanyl-2-oxidanylidene-ethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-(1-cyclohexyl-2-hydroxy-2-oxo-ethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[(1-cyclohexyl-2-hydroxy-2-oxoethoxy)-oxomethyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-(1-cyclohexyl-2-hydroxy-2-oxoethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-(1-cyclohexyl-2-hydroxy-2-keto-ethoxy)carbonyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C48H54N2O10 MolecularWeight: 818.94976

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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(C4CCCCC4)C(=O)O)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)OC(C4CCCCC4)C(=O)O)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C48H54N2O10/c1-3-28-49(30-32-20-24-37(25-21-32)58-35-16-10-6-11-17-35)44(51)39-40(42(41(39)46(53)54)48(57)60-43(47(55)56)34-14-8-5-9-15-34)45(52)50(29-4-2)31-33-22-26-38(27-23-33)59-36-18-12-7-13-19-36/h6-7,10-13,16-27,34,39-43H,3-5,8-9,14-15,28-31H2,1-2H3,(H,53,54)(H,55,56)