3-[3-[(3-hydroxyphenyl)methyl-propan-2-yl-amino]propoxy]xanthen-9-one

Systemtic Name: 3-[3-[(3-hydroxyphenyl)methyl-propan-2-yl-amino]propoxy]xanthen-9-one Openeye Name: 3-[3-[(3-hydroxyphenyl)methyl-isopropyl-amino]propoxy]xanthen-9-one CAS Name: 3-[3-[(3-hydroxyphenyl)methyl-propan-2-ylamino]propoxy]-9-xanthenone IUPAC Name: 3-[3-[(3-hydroxyphenyl)methyl-propan-2-ylamino]propoxy]xanthen-9-one Traditional Name: 3-[3-[(3-hydroxybenzyl)-isopropyl-amino]propoxy]xanthone Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC(=CC=C4)O

Isomeric SMILES

CC(C)N(CCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)CC4=CC(=CC=C4)O

InChI

InChI=1S/C26H27NO4/c1-18(2)27(17-19-7-5-8-20(28)15-19)13-6-14-30-21-11-12-23-25(16-21)31-24-10-4-3-9-22(24)26(23)29/h3-5,7-12,15-16,18,28H,6,13-14,17H2,1-2H3