ethanedioic acid; methyl 4-[3-[butyl(2-hydroxyethyl)amino]-2-oxidanyl-propoxy]-3-methoxy-benzoate

Systemtic Name: ethanedioic acid; methyl 4-[3-[butyl(2-hydroxyethyl)amino]-2-oxidanyl-propoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[3-[butyl(2-hydroxyethyl)amino]-2-hydroxy-propoxy]-3-methoxy-benzoate; oxalic acid CAS Name: 4-[3-[butyl(2-hydroxyethyl)amino]-2-hydroxypropoxy]-3-methoxybenzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[3-[butyl(2-hydroxyethyl)amino]-2-hydroxypropoxy]-3-methoxybenzoate; oxalic acid Traditional Name: 4-[3-[butyl(2-hydroxyethyl)amino]-2-hydroxy-propoxy]-3-methoxy-benzoic acid methyl ester; oxalic acid Formula: C20H31NO10 MolecularWeight: 445.46084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCO)CC(COC1=C(C=C(C=C1)C(=O)OC)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN(CCO)CC(COC1=C(C=C(C=C1)C(=O)OC)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29NO6.C2H2O4/c1-4-5-8-19(9-10-20)12-15(21)13-25-16-7-6-14(18(22)24-3)11-17(16)23-2;3-1(4)2(5)6/h6-7,11,15,20-21H,4-5,8-10,12-13H2,1-3H3;(H,3,4)(H,5,6)