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

Systemtic Name: 2-[[5-azanyl-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-yl]amino]benzoic acid Openeye Name: 2-[[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-2-yl]amino]benzoic acid CAS Name: 2-[[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-yl]amino]benzoic acid IUPAC Name: 2-[[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-yl]amino]benzoic acid Traditional Name: 2-[[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-2-yl]amino]benzoic acid Formula: C28H50N4O2 MolecularWeight: 474.7222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1CC(CN(C1NC2=CC=CC=C2C(=O)O)CC(CC)CCCC)(C)N

Isomeric SMILES

CCCCC(CC)CN1CC(CN(C1NC2=CC=CC=C2C(=O)O)CC(CC)CCCC)(C)N

InChI

InChI=1S/C28H50N4O2/c1-6-10-14-22(8-3)18-31-20-28(5,29)21-32(19-23(9-4)15-11-7-2)27(31)30-25-17-13-12-16-24(25)26(33)34/h12-13,16-17,22-23,27,30H,6-11,14-15,18-21,29H2,1-5H3,(H,33,34)