(E)-3-(1,3-benzodioxol-5-yl)-1-(4-pentylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-pentylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-pentylphenyl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-pentylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-pentylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-amylphenyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H22O3/c1-2-3-4-5-16-6-10-18(11-7-16)19(22)12-8-17-9-13-20-21(14-17)24-15-23-20/h6-14H,2-5,15H2,1H3/b12-8+