3-[4-[(3-hydroxyphenyl)methyl-methyl-amino]but-2-ynoxy]xanthen-9-one

Systemtic Name: 3-[4-[(3-hydroxyphenyl)methyl-methyl-amino]but-2-ynoxy]xanthen-9-one Openeye Name: 3-[4-[(3-hydroxyphenyl)methyl-methyl-amino]but-2-ynoxy]xanthen-9-one CAS Name: 3-[4-[(3-hydroxyphenyl)methyl-methylamino]but-2-ynoxy]-9-xanthenone IUPAC Name: 3-[4-[(3-hydroxyphenyl)methyl-methylamino]but-2-ynoxy]xanthen-9-one Traditional Name: 3-[4-[(3-hydroxybenzyl)-methyl-amino]but-2-ynoxy]xanthone Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC(=CC=C4)O

Isomeric SMILES

CN(CC#CCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC(=CC=C4)O

InChI

InChI=1S/C25H21NO4/c1-26(17-18-7-6-8-19(27)15-18)13-4-5-14-29-20-11-12-22-24(16-20)30-23-10-3-2-9-21(23)25(22)28/h2-3,6-12,15-16,27H,13-14,17H2,1H3