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

Systemtic Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-propan-2-yloxycarbonyl-cyclobutane-1-carboxylic acid Openeye Name: 2-isopropoxycarbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2,3-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-4-[oxo(propan-2-yloxy)methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2,3-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]-4-propan-2-yloxycarbonylcyclobutane-1-carboxylic acid Traditional Name: 2-isopropoxycarbonyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C43H48N2O8 MolecularWeight: 720.84982

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

InChI

InChI=1S/C43H48N2O8/c1-5-25-44(27-30-17-21-34(22-18-30)52-32-13-9-7-10-14-32)40(46)36-37(39(38(36)42(48)49)43(50)51-29(3)4)41(47)45(26-6-2)28-31-19-23-35(24-20-31)53-33-15-11-8-12-16-33/h7-24,29,36-39H,5-6,25-28H2,1-4H3,(H,48,49)