2-[2-(carboxymethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethanoyl-ethanoyl-diethyl-azanium

Systemtic Name: 2-[2-(carboxymethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethanoyl-ethanoyl-diethyl-azanium Openeye Name: acetyl-[2-[2-(carboxymethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]acetyl]-diethyl-ammonium CAS Name: acetyl-[2-[2-(carboxymethyl)-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]cyclobutyl]-1-oxoethyl]-diethylammonium IUPAC Name: acetyl-[2-[2-(carboxymethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutyl]acetyl]-diethylazanium Traditional Name: acetyl-[2-[2-(carboxymethyl)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutyl]acetyl]-diethyl-ammonium Formula: C48H58N3O8+ MolecularWeight: 804.98942

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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)CC(=O)O)CC(=O)[N+](CC)(CC)C(=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)CC(=O)O)CC(=O)[N+](CC)(CC)C(=O)C

InChI

InChI=1S/C48H57N3O8/c1-6-28-49(32-35-20-24-39(25-21-35)58-37-16-12-10-13-17-37)47(56)45-41(30-43(53)51(8-3,9-4)34(5)52)42(31-44(54)55)46(45)48(57)50(29-7-2)33-36-22-26-40(27-23-36)59-38-18-14-11-15-19-38/h10-27,41-42,45-46H,6-9,28-33H2,1-5H3/p+1