2-[(4-acetamidophenyl)carbonyl-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]amino]ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[(4-acetamidophenyl)carbonyl-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]amino]ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[(4-acetamidobenzoyl)-[2-(dicyclohexylamino)-2-oxo-ethyl]amino]ethyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-[[(4-acetamidophenyl)-oxomethyl]-[2-(dicyclohexylamino)-2-oxoethyl]amino]ethyl-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[(4-acetamidobenzoyl)-[2-(dicyclohexylamino)-2-oxoethyl]amino]ethyl-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 2-[(4-acetamidobenzoyl)-[2-(dicyclohexylamino)-2-keto-ethyl]amino]ethyl-diethyl-ammonium binoxalate Formula: C31H48N4O7 MolecularWeight: 588.73542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC(=O)N(C1CCCCC1)C2CCCCC2)C(=O)C3=CC=C(C=C3)NC(=O)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CCN(CC(=O)N(C1CCCCC1)C2CCCCC2)C(=O)C3=CC=C(C=C3)NC(=O)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C29H46N4O3.C2H2O4/c1-4-31(5-2)20-21-32(29(36)24-16-18-25(19-17-24)30-23(3)34)22-28(35)33(26-12-8-6-9-13-26)27-14-10-7-11-15-27;3-1(4)2(5)6/h16-19,26-27H,4-15,20-22H2,1-3H3,(H,30,34);(H,3,4)(H,5,6)