1-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-(pentoxymethyl)phenyl]propan-1-one

Systemtic Name: 1-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-(pentoxymethyl)phenyl]propan-1-one Openeye Name: 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-(pentoxymethyl)phenyl]propan-1-one CAS Name: 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(pentoxymethyl)phenyl]-1-propanone IUPAC Name: 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(pentoxymethyl)phenyl]propan-1-one Traditional Name: 1-[3-(amoxymethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propan-1-one Formula: C21H35NO4 MolecularWeight: 365.5069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O

Isomeric SMILES

CCCCCOCC1=C(C=CC(=C1)C(=O)CC)OCC(CNC(C)C)O

InChI

InChI=1S/C21H35NO4/c1-5-7-8-11-25-14-18-12-17(20(24)6-2)9-10-21(18)26-15-19(23)13-22-16(3)4/h9-10,12,16,19,22-23H,5-8,11,13-15H2,1-4H3