(E)-1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-methoxy-phenyl]but-2-en-1-one

Systemtic Name: (E)-1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-methoxy-phenyl]but-2-en-1-one Openeye Name: (E)-1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-methoxy-phenyl]but-2-en-1-one CAS Name: (E)-1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-methoxyphenyl]-2-buten-1-one IUPAC Name: (E)-1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-methoxyphenyl]but-2-en-1-one Traditional Name: (E)-1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-methoxy-phenyl]but-2-en-1-one Formula: C18H27NO4 MolecularWeight: 321.41128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)OC

Isomeric SMILES

C/C=C/C(=O)C1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)OC

InChI

InChI=1S/C18H27NO4/c1-6-7-15(21)13-8-9-16(17(10-13)22-5)23-12-14(20)11-19-18(2,3)4/h6-10,14,19-20H,11-12H2,1-5H3/b7-6+