3-butoxy-5-phenyl-1,2,4-oxadiazole; 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine

Systemtic Name: 3-butoxy-5-phenyl-1,2,4-oxadiazole; 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine Openeye Name: 3-butoxy-5-phenyl-1,2,4-oxadiazole; 2-(3,4-dimethoxyphenyl)-N-methyl-ethanamine CAS Name: 3-butoxy-5-phenyl-1,2,4-oxadiazole; 2-(3,4-dimethoxyphenyl)-N-methylethanamine IUPAC Name: 3-butoxy-5-phenyl-1,2,4-oxadiazole; 2-(3,4-dimethoxyphenyl)-N-methylethanamine Traditional Name: 3-butoxy-5-phenyl-1,2,4-oxadiazole; homoveratryl(methyl)amine Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NOC(=N1)C2=CC=CC=C2.CNCCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCCCOC1=NOC(=N1)C2=CC=CC=C2.CNCCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C12H14N2O2.C11H17NO2/c1-2-3-9-15-12-13-11(16-14-12)10-7-5-4-6-8-10;1-12-7-6-9-4-5-10(13-2)11(8-9)14-3/h4-8H,2-3,9H2,1H3;4-5,8,12H,6-7H2,1-3H3