3-[5-azanyl-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-4-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[5-azanyl-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-4-yl]-2-oxidanyl-benzoic acid Openeye Name: 3-[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-4-yl]-2-hydroxy-benzoic acid CAS Name: 3-[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-4-yl]-2-hydroxybenzoic acid IUPAC Name: 3-[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-4-yl]-2-hydroxybenzoic acid Traditional Name: 3-[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-4-yl]-2-hydroxy-benzoic acid Formula: C28H49N3O3 MolecularWeight: 475.70696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1CC(C(N(C1)CC(CC)CCCC)C2=CC=CC(=C2O)C(=O)O)(C)N

Isomeric SMILES

CCCCC(CC)CN1CC(C(N(C1)CC(CC)CCCC)C2=CC=CC(=C2O)C(=O)O)(C)N

InChI

InChI=1S/C28H49N3O3/c1-6-10-13-21(8-3)17-30-19-28(5,29)26(23-15-12-16-24(25(23)32)27(33)34)31(20-30)18-22(9-4)14-11-7-2/h12,15-16,21-22,26,32H,6-11,13-14,17-20,29H2,1-5H3,(H,33,34)