2,2,6-trimethyl-N1-(3-methylbutyl)-N1-(4-phenylmethoxyphenyl)heptane-1,3,4-triamine

Systemtic Name: 2,2,6-trimethyl-N1-(3-methylbutyl)-N1-(4-phenylmethoxyphenyl)heptane-1,3,4-triamine Openeye Name: N1-(4-benzyloxyphenyl)-N1-isopentyl-2,2,6-trimethyl-heptane-1,3,4-triamine CAS Name: 2,2,6-trimethyl-N1-(3-methylbutyl)-N1-(4-phenylmethoxyphenyl)heptane-1,3,4-triamine IUPAC Name: 2,2,6-trimethyl-1-N-(3-methylbutyl)-1-N-(4-phenylmethoxyphenyl)heptane-1,3,4-triamine Traditional Name: (4-benzoxyphenyl)-(3,4-diamino-2,2,6-trimethyl-heptyl)-isoamyl-amine Formula: C28H45N3O MolecularWeight: 439.6764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(C)(C)C(C(CC(C)C)N)N)C1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN(CC(C)(C)C(C(CC(C)C)N)N)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C28H45N3O/c1-21(2)16-17-31(20-28(5,6)27(30)26(29)18-22(3)4)24-12-14-25(15-13-24)32-19-23-10-8-7-9-11-23/h7-15,21-22,26-27H,16-20,29-30H2,1-6H3