[3-[5-[(3,4-dimethoxyphenyl)carbonylamino]naphthalen-1-yl]oxy-2-oxidanyl-propyl]-propan-2-yl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [3-[5-[(3,4-dimethoxyphenyl)carbonylamino]naphthalen-1-yl]oxy-2-oxidanyl-propyl]-propan-2-yl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [3-[[5-[(3,4-dimethoxybenzoyl)amino]-1-naphthyl]oxy]-2-hydroxy-propyl]-isopropyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [3-[[5-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-1-naphthalenyl]oxy]-2-hydroxypropyl]-propan-2-ylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [3-[5-[(3,4-dimethoxybenzoyl)amino]naphthalen-1-yl]oxy-2-hydroxypropyl]-propan-2-ylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [2-hydroxy-3-[5-(veratroylamino)-1-naphthoxy]propyl]-isopropyl-ammonium binoxalate Formula: C27H32N2O9 MolecularWeight: 528.55098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC=CC2=C1C=CC=C2NC(=O)C3=CC(=C(C=C3)OC)OC)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)[NH2+]CC(COC1=CC=CC2=C1C=CC=C2NC(=O)C3=CC(=C(C=C3)OC)OC)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H30N2O5.C2H2O4/c1-16(2)26-14-18(28)15-32-22-10-6-7-19-20(22)8-5-9-21(19)27-25(29)17-11-12-23(30-3)24(13-17)31-4;3-1(4)2(5)6/h5-13,16,18,26,28H,14-15H2,1-4H3,(H,27,29);(H,3,4)(H,5,6)