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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)OC

Isomeric SMILES

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

InChI

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