(4E)-6-(2-diethylaminoethyloxy)-4-(phenylmethylidene)-2,3-dihydro-1H-xanthen-9-one

Systemtic Name: (4E)-6-(2-diethylaminoethyloxy)-4-(phenylmethylidene)-2,3-dihydro-1H-xanthen-9-one Openeye Name: (4E)-4-benzylidene-6-(2-diethylaminoethyloxy)-2,3-dihydro-1H-xanthen-9-one CAS Name: (4E)-6-(2-diethylaminoethyloxy)-4-(phenylmethylene)-2,3-dihydro-1H-xanthen-9-one IUPAC Name: (4E)-4-benzylidene-6-(2-diethylaminoethyloxy)-2,3-dihydro-1H-xanthen-9-one Traditional Name: (4E)-4-benzal-6-(2-diethylaminoethyloxy)-2,3-dihydro-1H-xanthen-9-one Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC2=C(C=C1)C(=O)C3=C(O2)C(=CC4=CC=CC=C4)CCC3

Isomeric SMILES

CCN(CC)CCOC1=CC2=C(C=C1)C(=O)C3=C(O2)/C(=C/C4=CC=CC=C4)/CCC3

InChI

InChI=1S/C26H29NO3/c1-3-27(4-2)15-16-29-21-13-14-22-24(18-21)30-26-20(11-8-12-23(26)25(22)28)17-19-9-6-5-7-10-19/h5-7,9-10,13-14,17-18H,3-4,8,11-12,15-16H2,1-2H3/b20-17+