3,4-bis[2-fluoranylethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid

Systemtic Name: 3,4-bis[2-fluoranylethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[2-fluoroethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[2-fluoroethyl-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[2-fluoroethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[2-fluoroethyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C38H36F2N2O8 MolecularWeight: 686.697846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CCF)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCF)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CCF)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCF)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C38H36F2N2O8/c39-19-21-41(23-25-11-15-29(16-12-25)49-27-7-3-1-4-8-27)35(43)31-32(34(38(47)48)33(31)37(45)46)36(44)42(22-20-40)24-26-13-17-30(18-14-26)50-28-9-5-2-6-10-28/h1-18,31-34H,19-24H2,(H,45,46)(H,47,48)