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

Systemtic Name: 3-[3-(cyclohexylamino)-2-oxidanyl-propoxy]xanthen-9-one Openeye Name: 3-[3-(cyclohexylamino)-2-hydroxy-propoxy]xanthen-9-one CAS Name: 3-[3-(cyclohexylamino)-2-hydroxypropoxy]-9-xanthenone IUPAC Name: 3-[3-(cyclohexylamino)-2-hydroxypropoxy]xanthen-9-one Traditional Name: 3-[3-(cyclohexylamino)-2-hydroxy-propoxy]xanthone Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(COC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3)O

Isomeric SMILES

C1CCC(CC1)NCC(COC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3)O

InChI

InChI=1S/C22H25NO4/c24-16(13-23-15-6-2-1-3-7-15)14-26-17-10-11-19-21(12-17)27-20-9-5-4-8-18(20)22(19)25/h4-5,8-12,15-16,23-24H,1-3,6-7,13-14H2