2-[4-(3-morpholin-4-ylpropylamino)phenyl]sulfanyloctanoic acid

Systemtic Name: 2-[4-(3-morpholin-4-ylpropylamino)phenyl]sulfanyloctanoic acid Openeye Name: 2-[4-(3-morpholinopropylamino)phenyl]sulfanyloctanoic acid CAS Name: 2-[[4-[3-(4-morpholinyl)propylamino]phenyl]thio]octanoic acid IUPAC Name: 2-[4-(3-morpholin-4-ylpropylamino)phenyl]sulfanyloctanoic acid Traditional Name: 2-[[4-(3-morpholinopropylamino)phenyl]thio]caprylic acid Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)NCCCN2CCOCC2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)NCCCN2CCOCC2

InChI

InChI=1S/C21H34N2O3S/c1-2-3-4-5-7-20(21(24)25)27-19-10-8-18(9-11-19)22-12-6-13-23-14-16-26-17-15-23/h8-11,20,22H,2-7,12-17H2,1H3,(H,24,25)