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

Systemtic Name: [[5-azanyl-1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-4-yl]amino] 2-oxidanylbenzoate Openeye Name: [[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-4-yl]amino] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic 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] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [[5-amino-1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-4-yl]amino] ester Formula: C28H50N4O3 MolecularWeight: 490.7216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H50N4O3/c1-6-10-14-22(8-3)18-31-20-28(5,29)27(32(21-31)19-23(9-4)15-11-7-2)30-35-26(34)24-16-12-13-17-25(24)33/h12-13,16-17,22-23,27,30,33H,6-11,14-15,18-21,29H2,1-5H3