2-[4-[3-(3-phenylpropylamino)phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(3-phenylpropylamino)phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-(3-phenylpropylamino)phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-(3-phenylpropylamino)phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-(3-phenylpropylamino)phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-(3-phenylpropylamino)phenyl]thio]phenyl]acetic acid Formula: C23H23NO2S MolecularWeight: 377.49922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C23H23NO2S/c25-23(26)16-19-11-13-21(14-12-19)27-22-10-4-9-20(17-22)24-15-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-14,17,24H,5,8,15-16H2,(H,25,26)