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

Systemtic Name: [2,3-dicarboxy-4-[(4-phenoxyphenyl)methyl-dipropyl-azaniumyl]carbonyl-cyclobutyl]carbonyl-[(4-phenoxyphenyl)methyl]-dipropyl-azanium Openeye Name: [2,3-dicarboxy-4-[(4-phenoxyphenyl)methyl-dipropyl-ammonio]carbonyl-cyclobutanecarbonyl]-[(4-phenoxyphenyl)methyl]-dipropyl-ammonium CAS Name: [[2,3-dicarboxy-4-[oxo-[(4-phenoxyphenyl)methyl-dipropylammonio]methyl]cyclobutyl]-oxomethyl]-[(4-phenoxyphenyl)methyl]-dipropylammonium IUPAC Name: [2,3-dicarboxy-4-[(4-phenoxyphenyl)methyl-dipropylazaniumyl]carbonylcyclobutanecarbonyl]-[(4-phenoxyphenyl)methyl]-dipropylazanium Traditional Name: [2,3-dicarboxy-4-[(4-phenoxybenzyl)-dipropyl-ammonio]carbonyl-cyclobutanecarbonyl]-(4-phenoxybenzyl)-dipropyl-ammonium Formula: C46H56N2O8+2 MolecularWeight: 764.94544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)[N+](CCC)(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCC[N+](CCC)(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)[N+](CCC)(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C46H54N2O8/c1-5-27-47(28-6-2,31-33-19-23-37(24-20-33)55-35-15-11-9-12-16-35)43(49)39-40(42(46(53)54)41(39)45(51)52)44(50)48(29-7-3,30-8-4)32-34-21-25-38(26-22-34)56-36-17-13-10-14-18-36/h9-26,39-42H,5-8,27-32H2,1-4H3/p+2