3-[[4-[1-(5-cyano-6-propylsulfanyl-naphthalen-2-yl)butyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[1-(5-cyano-6-propylsulfanyl-naphthalen-2-yl)butyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[1-(5-cyano-6-propylsulfanyl-2-naphthyl)butyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[1-[5-cyano-6-(propylthio)-2-naphthalenyl]butyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[1-(5-cyano-6-propylsulfanylnaphthalen-2-yl)butyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[1-[5-cyano-6-(propylthio)-2-naphthyl]butyl]benzoyl]amino]propionic acid Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)C2=CC3=C(C=C2)C(=C(C=C3)SCCC)C#N

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)C2=CC3=C(C=C2)C(=C(C=C3)SCCC)C#N

InChI

InChI=1S/C28H30N2O3S/c1-3-5-23(19-6-8-20(9-7-19)28(33)30-15-14-27(31)32)21-10-12-24-22(17-21)11-13-26(25(24)18-29)34-16-4-2/h6-13,17,23H,3-5,14-16H2,1-2H3,(H,30,33)(H,31,32)