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

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

Click to see the large picture

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

InChI

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