2-[acetyloxy(furan-2-yl)methyl]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate

Systemtic Name: 2-[acetyloxy(furan-2-yl)methyl]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylate Openeye Name: 2-[acetoxy(2-furyl)methyl]-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylate CAS Name: 2-[acetyloxy(2-furanyl)methyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylate IUPAC Name: 2-[acetyloxy(furan-2-yl)methyl]-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylate Traditional Name: 2-[acetoxy(2-furyl)methyl]-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylate Formula: C46H47N2O9- MolecularWeight: 771.87338

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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)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)[O-])C(C6=CC=CO6)OC(=O)C

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)[O-])C(C6=CC=CO6)OC(=O)C

InChI

InChI=1S/C46H48N2O9/c1-4-26-47(29-32-18-22-36(23-19-32)56-34-13-8-6-9-14-34)44(50)40-39(43(55-31(3)49)38-17-12-28-54-38)42(46(52)53)41(40)45(51)48(27-5-2)30-33-20-24-37(25-21-33)57-35-15-10-7-11-16-35/h6-25,28,39-43H,4-5,26-27,29-30H2,1-3H3,(H,52,53)/p-1