6-methoxy-2-[[methyl-[(E)-3-phenylprop-2-enyl]amino]methyl]xanthen-9-one hydrochloride

Systemtic Name: 6-methoxy-2-[[methyl-[(E)-3-phenylprop-2-enyl]amino]methyl]xanthen-9-one hydrochloride Openeye Name: 2-[[[(E)-cinnamyl]-methyl-amino]methyl]-6-methoxy-xanthen-9-one hydrochloride CAS Name: 6-methoxy-2-[[methyl-[(E)-3-phenylprop-2-enyl]amino]methyl]-9-xanthenone hydrochloride IUPAC Name: 6-methoxy-2-[[methyl-[(E)-3-phenylprop-2-enyl]amino]methyl]xanthen-9-one hydrochloride Traditional Name: 2-[[[(E)-cinnamyl]-methyl-amino]methyl]-6-methoxy-xanthone hydrochloride Formula: C25H24ClNO3 MolecularWeight: 421.91596

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=CC1=CC=CC=C1)CC2=CC3=C(C=C2)OC4=C(C3=O)C=CC(=C4)OC.Cl

Isomeric SMILES

CN(C/C=C/C1=CC=CC=C1)CC2=CC3=C(C=C2)OC4=C(C3=O)C=CC(=C4)OC.Cl

InChI

InChI=1S/C25H23NO3.ClH/c1-26(14-6-9-18-7-4-3-5-8-18)17-19-10-13-23-22(15-19)25(27)21-12-11-20(28-2)16-24(21)29-23;/h3-13,15-16H,14,17H2,1-2H3;1H/b9-6+;