N-[(2-methoxyphenyl)methyl]-1-[2-(4-methylhexyl)-1,3-dioxetan-2-yl]-2-phenyl-piperidin-3-amine

Systemtic Name: N-[(2-methoxyphenyl)methyl]-1-[2-(4-methylhexyl)-1,3-dioxetan-2-yl]-2-phenyl-piperidin-3-amine Openeye Name: N-[(2-methoxyphenyl)methyl]-1-[2-(4-methylhexyl)-1,3-dioxetan-2-yl]-2-phenyl-piperidin-3-amine CAS Name: N-[(2-methoxyphenyl)methyl]-1-[2-(4-methylhexyl)-1,3-dioxetan-2-yl]-2-phenyl-3-piperidinamine IUPAC Name: N-[(2-methoxyphenyl)methyl]-1-[2-(4-methylhexyl)-1,3-dioxetan-2-yl]-2-phenylpiperidin-3-amine Traditional Name: [1-[2-(4-methylhexyl)-1,3-dioxetan-2-yl]-2-phenyl-3-piperidyl]-o-anisyl-amine Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCC1(OCO1)N2CCCC(C2C3=CC=CC=C3)NCC4=CC=CC=C4OC

Isomeric SMILES

CCC(C)CCCC1(OCO1)N2CCCC(C2C3=CC=CC=C3)NCC4=CC=CC=C4OC

InChI

InChI=1S/C28H40N2O3/c1-4-22(2)12-10-18-28(32-21-33-28)30-19-11-16-25(27(30)23-13-6-5-7-14-23)29-20-24-15-8-9-17-26(24)31-3/h5-9,13-15,17,22,25,27,29H,4,10-12,16,18-21H2,1-3H3