3-[(2-chloranyl-5-methyl-phenyl)methyl-[(3-phenylsulfanylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(2-chloranyl-5-methyl-phenyl)methyl-[(3-phenylsulfanylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[(2-chloro-5-methyl-phenyl)methyl-[(3-phenylsulfanylphenyl)methyl]amino]propanoic acid CAS Name: 3-[(2-chloro-5-methylphenyl)methyl-[[3-(phenylthio)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[(2-chloro-5-methylphenyl)methyl-[(3-phenylsulfanylphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(2-chloro-5-methyl-benzyl)-[3-(phenylthio)benzyl]amino]propionic acid Formula: C24H24ClNO2S MolecularWeight: 425.97086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)CN(CCC(=O)O)CC2=CC(=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)CN(CCC(=O)O)CC2=CC(=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C24H24ClNO2S/c1-18-10-11-23(25)20(14-18)17-26(13-12-24(27)28)16-19-6-5-9-22(15-19)29-21-7-3-2-4-8-21/h2-11,14-15H,12-13,16-17H2,1H3,(H,27,28)