5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-2-heptoxy-phenol

Systemtic Name: 5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-2-heptoxy-phenol Openeye Name: 5-(3-amino-4-hydroxy-3-methyl-butyl)-2-heptoxy-phenol CAS Name: 5-(3-amino-4-hydroxy-3-methylbutyl)-2-heptoxyphenol IUPAC Name: 5-(3-amino-4-hydroxy-3-methylbutyl)-2-heptoxyphenol Traditional Name: 5-(3-amino-4-hydroxy-3-methyl-butyl)-2-heptoxy-phenol Formula: C18H31NO3 MolecularWeight: 309.44364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)CCC(C)(CO)N)O

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)CCC(C)(CO)N)O

InChI

InChI=1S/C18H31NO3/c1-3-4-5-6-7-12-22-17-9-8-15(13-16(17)21)10-11-18(2,19)14-20/h8-9,13,20-21H,3-7,10-12,14,19H2,1-2H3