4-[4-[(2R)-3-[2-(4-methylphenoxy)ethylamino]-2-oxidanyl-propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[(2R)-3-[2-(4-methylphenoxy)ethylamino]-2-oxidanyl-propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[(2R)-2-hydroxy-3-[2-(4-methylphenoxy)ethylamino]propoxy]phenyl]butan-2-one CAS Name: 4-[4-[(2R)-2-hydroxy-3-[2-(4-methylphenoxy)ethylamino]propoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[(2R)-2-hydroxy-3-[2-(4-methylphenoxy)ethylamino]propoxy]phenyl]butan-2-one Traditional Name: 4-[4-[(2R)-2-hydroxy-3-[2-(4-methylphenoxy)ethylamino]propoxy]phenyl]butan-2-one Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNCC(COC2=CC=C(C=C2)CCC(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCNC[C@H](COC2=CC=C(C=C2)CCC(=O)C)O

InChI

InChI=1S/C22H29NO4/c1-17-3-9-21(10-4-17)26-14-13-23-15-20(25)16-27-22-11-7-19(8-12-22)6-5-18(2)24/h3-4,7-12,20,23,25H,5-6,13-16H2,1-2H3/t20-/m1/s1