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

Systemtic Name: 2-[3-[4-(3-phenylpropylamino)phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[4-(3-phenylpropylamino)phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[4-(3-phenylpropylamino)phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[4-(3-phenylpropylamino)phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[4-(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=C(C=C2)SC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

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

InChI

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