2-[[6-tert-butyl-4-methoxy-2-methyl-3-(pyridin-3-ylmethyl)phenoxy]methoxymethyl]guanidine

Systemtic Name: 2-[[6-tert-butyl-4-methoxy-2-methyl-3-(pyridin-3-ylmethyl)phenoxy]methoxymethyl]guanidine Openeye Name: 2-[[6-tert-butyl-4-methoxy-2-methyl-3-(3-pyridylmethyl)phenoxy]methoxymethyl]guanidine CAS Name: 2-[[6-tert-butyl-4-methoxy-2-methyl-3-(3-pyridinylmethyl)phenoxy]methoxymethyl]guanidine IUPAC Name: 2-[[6-tert-butyl-4-methoxy-2-methyl-3-(pyridin-3-ylmethyl)phenoxy]methoxymethyl]guanidine Traditional Name: 2-[[6-tert-butyl-4-methoxy-2-methyl-3-(3-pyridylmethyl)phenoxy]methoxymethyl]guanidine Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1CC2=CN=CC=C2)OC)C(C)(C)C)OCOCN=C(N)N

Isomeric SMILES

CC1=C(C(=CC(=C1CC2=CN=CC=C2)OC)C(C)(C)C)OCOCN=C(N)N

InChI

InChI=1S/C21H30N4O3/c1-14-16(9-15-7-6-8-24-11-15)18(26-5)10-17(21(2,3)4)19(14)28-13-27-12-25-20(22)23/h6-8,10-11H,9,12-13H2,1-5H3,(H4,22,23,25)