[[5-azanyl-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-4-yl]amino] benzoate

Systemtic Name: [[5-azanyl-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-4-yl]amino] benzoate Openeye Name: [[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-4-yl]amino] benzoate CAS Name: benzoic acid [[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-4-yl]amino] ester IUPAC Name: [[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-4-yl]amino] benzoate Traditional Name: benzoic acid [[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-4-yl]amino] ester Formula: C28H50N4O2 MolecularWeight: 474.7222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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