1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; (E)-3-phenylprop-2-enoic acid

Systemtic Name: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; (E)-3-phenylprop-2-enoic acid Openeye Name: 1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-amine; (E)-3-phenylprop-2-enoic acid CAS Name: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; (E)-3-phenyl-2-propenoic acid IUPAC Name: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; (E)-3-phenylprop-2-enoic acid Traditional Name: [1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-yl]amine; (E)-3-phenylacrylic acid Formula: C30H53N3O2 MolecularWeight: 487.76072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H45N3.C9H8O2/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;10-9(11)7-6-8-4-2-1-3-5-8/h19-20H,6-18,22H2,1-5H3;1-7H,(H,10,11)/b;7-6+