3-[3-(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]xanthen-9-one

Systemtic Name: 3-[3-(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]xanthen-9-one Openeye Name: 3-[3-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]xanthen-9-one CAS Name: 3-[3-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-9-xanthenone IUPAC Name: 3-[3-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]xanthen-9-one Traditional Name: 3-[3-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]xanthone Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)O)CCCOC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)O)CCCOC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5O4

InChI

InChI=1S/C25H23NO4/c27-19-7-6-17-10-12-26(16-18(17)14-19)11-3-13-29-20-8-9-22-24(15-20)30-23-5-2-1-4-21(23)25(22)28/h1-2,4-9,14-15,27H,3,10-13,16H2