[2,3-dicarboxy-4-[(4-phenoxyphenyl)methyl-(phenylmethyl)-propyl-azaniumyl]carbonyl-cyclobutyl]carbonyl-[(4-phenoxyphenyl)methyl]-(phenylmethyl)-propyl-azanium

Systemtic Name: [2,3-dicarboxy-4-[(4-phenoxyphenyl)methyl-(phenylmethyl)-propyl-azaniumyl]carbonyl-cyclobutyl]carbonyl-[(4-phenoxyphenyl)methyl]-(phenylmethyl)-propyl-azanium Openeye Name: benzyl-[2-[benzyl-[(4-phenoxyphenyl)methyl]-propyl-ammonio]carbonyl-3,4-dicarboxy-cyclobutanecarbonyl]-[(4-phenoxyphenyl)methyl]-propyl-ammonium CAS Name: [[2,3-dicarboxy-4-[oxo-[(4-phenoxyphenyl)methyl-(phenylmethyl)-propylammonio]methyl]cyclobutyl]-oxomethyl]-[(4-phenoxyphenyl)methyl]-(phenylmethyl)-propylammonium IUPAC Name: benzyl-[2-[benzyl-[(4-phenoxyphenyl)methyl]-propylazaniumyl]carbonyl-3,4-dicarboxycyclobutanecarbonyl]-[(4-phenoxyphenyl)methyl]-propylazanium Traditional Name: benzyl-[2-[benzyl-(4-phenoxybenzyl)-propyl-ammonio]carbonyl-3,4-dicarboxy-cyclobutanecarbonyl]-(4-phenoxybenzyl)-propyl-ammonium Formula: C54H56N2O8+2 MolecularWeight: 861.03104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC1=CC=CC=C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)[N+](CCC)(CC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7

Isomeric SMILES

CCC[N+](CC1=CC=CC=C1)(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)[N+](CCC)(CC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7

InChI

InChI=1S/C54H54N2O8/c1-3-33-55(35-39-17-9-5-10-18-39,37-41-25-29-45(30-26-41)63-43-21-13-7-14-22-43)51(57)47-48(50(54(61)62)49(47)53(59)60)52(58)56(34-4-2,36-40-19-11-6-12-20-40)38-42-27-31-46(32-28-42)64-44-23-15-8-16-24-44/h5-32,47-50H,3-4,33-38H2,1-2H3/p+2