4-azanyl-2-oxidanyl-benzoic acid; 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine

Systemtic Name: 4-azanyl-2-oxidanyl-benzoic acid; 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine Openeye Name: 4-amino-2-hydroxy-benzoic acid; 1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-amine CAS Name: 4-amino-2-hydroxybenzoic acid; 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine IUPAC Name: 4-amino-2-hydroxybenzoic acid; 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine Traditional Name: 4-amino-2-hydroxy-benzoic acid; [1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-yl]amine Formula: C28H52N4O3 MolecularWeight: 492.73748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N.C1=CC(=C(C=C1N)O)C(=O)O

Isomeric SMILES

CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N.C1=CC(=C(C=C1N)O)C(=O)O

InChI

InChI=1S/C21H45N3.C7H7NO3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2;8-4-1-2-5(7(10)11)6(9)3-4/h19-20H,6-18,22H2,1-5H3;1-3,9H,8H2,(H,10,11)