(E)-3-(2,6-dibutoxy-3-prop-2-enyl-phenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(2,6-dibutoxy-3-prop-2-enyl-phenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(3-allyl-2,6-dibutoxy-phenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one CAS Name: (E)-3-(2,6-dibutoxy-3-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(2,6-dibutoxy-3-prop-2-enylphenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-allyl-2,6-dibutoxy-phenyl)-1-[4-(methylamino)phenyl]prop-2-en-1-one Formula: C27H35NO3 MolecularWeight: 421.5717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)CC=C)OCCCC)C=CC(=O)C2=CC=C(C=C2)NC

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)CC=C)OCCCC)/C=C/C(=O)C2=CC=C(C=C2)NC

InChI

InChI=1S/C27H35NO3/c1-5-8-19-30-26-18-13-22(10-7-3)27(31-20-9-6-2)24(26)16-17-25(29)21-11-14-23(28-4)15-12-21/h7,11-18,28H,3,5-6,8-10,19-20H2,1-2,4H3/b17-16+