3-[3-(2-methylpropylamino)-2-oxidanyl-propoxy]xanthen-9-one

Systemtic Name: 3-[3-(2-methylpropylamino)-2-oxidanyl-propoxy]xanthen-9-one Openeye Name: 3-[2-hydroxy-3-(isobutylamino)propoxy]xanthen-9-one CAS Name: 3-[2-hydroxy-3-(2-methylpropylamino)propoxy]-9-xanthenone IUPAC Name: 3-[2-hydroxy-3-(2-methylpropylamino)propoxy]xanthen-9-one Traditional Name: 3-[2-hydroxy-3-(isobutylamino)propoxy]xanthone Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC(COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)O

Isomeric SMILES

CC(C)CNCC(COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)O

InChI

InChI=1S/C20H23NO4/c1-13(2)10-21-11-14(22)12-24-15-7-8-17-19(9-15)25-18-6-4-3-5-16(18)20(17)23/h3-9,13-14,21-22H,10-12H2,1-2H3