[3-[4-[(3,4-dimethoxyphenyl)carbonylamino]phenoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [3-[4-[(3,4-dimethoxyphenyl)carbonylamino]phenoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [3-[4-[(3,4-dimethoxybenzoyl)amino]phenoxy]-2-hydroxy-propyl]-isopropyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [3-[4-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenoxy]-2-hydroxypropyl]-propan-2-ylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [3-[4-[(3,4-dimethoxybenzoyl)amino]phenoxy]-2-hydroxypropyl]-propan-2-ylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [2-hydroxy-3-[4-(veratroylamino)phenoxy]propyl]-isopropyl-ammonium binoxalate Formula: C23H30N2O9 MolecularWeight: 478.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)OC)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)[NH2+]CC(COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)OC)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H28N2O5.C2H2O4/c1-14(2)22-12-17(24)13-28-18-8-6-16(7-9-18)23-21(25)15-5-10-19(26-3)20(11-15)27-4;3-1(4)2(5)6/h5-11,14,17,22,24H,12-13H2,1-4H3,(H,23,25);(H,3,4)(H,5,6)