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

Systemtic Name: 3-[2-oxidanyl-3-(pentan-3-ylamino)propoxy]xanthen-9-one Openeye Name: 3-[3-(1-ethylpropylamino)-2-hydroxy-propoxy]xanthen-9-one CAS Name: 3-[2-hydroxy-3-(pentan-3-ylamino)propoxy]-9-xanthenone IUPAC Name: 3-[2-hydroxy-3-(pentan-3-ylamino)propoxy]xanthen-9-one Traditional Name: 3-[3-(1-ethylpropylamino)-2-hydroxy-propoxy]xanthone Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC(COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)O

Isomeric SMILES

CCC(CC)NCC(COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)O

InChI

InChI=1S/C21H25NO4/c1-3-14(4-2)22-12-15(23)13-25-16-9-10-18-20(11-16)26-19-8-6-5-7-17(19)21(18)24/h5-11,14-15,22-23H,3-4,12-13H2,1-2H3