2-methoxycarbonyl-3,4-bis[2-(4-phenoxyphenyl)ethanoyl-propyl-amino]cyclobutane-1-carboxylate

Systemtic Name: 2-methoxycarbonyl-3,4-bis[2-(4-phenoxyphenyl)ethanoyl-propyl-amino]cyclobutane-1-carboxylate Openeye Name: 2-methoxycarbonyl-3,4-bis[[2-(4-phenoxyphenyl)acetyl]-propyl-amino]cyclobutanecarboxylate CAS Name: 2-methoxycarbonyl-3,4-bis[[1-oxo-2-(4-phenoxyphenyl)ethyl]-propylamino]-1-cyclobutanecarboxylate IUPAC Name: 2-methoxycarbonyl-3,4-bis[[2-(4-phenoxyphenyl)acetyl]-propylamino]cyclobutane-1-carboxylate Traditional Name: 2-carbomethoxy-3,4-bis[[2-(4-phenoxyphenyl)acetyl]-propyl-amino]cyclobutanecarboxylate Formula: C41H43N2O8- MolecularWeight: 691.78872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1C(C(C1N(CCC)C(=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OC)C(=O)[O-])C(=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCN(C1C(C(C1N(CCC)C(=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OC)C(=O)[O-])C(=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C41H44N2O8/c1-4-24-42(34(44)26-28-16-20-32(21-17-28)50-30-12-8-6-9-13-30)38-36(40(46)47)37(41(48)49-3)39(38)43(25-5-2)35(45)27-29-18-22-33(23-19-29)51-31-14-10-7-11-15-31/h6-23,36-39H,4-5,24-27H2,1-3H3,(H,46,47)/p-1