3-[[4-[1-(6-ethylsulfanylnaphthalen-2-yl)butyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[1-(6-ethylsulfanylnaphthalen-2-yl)butyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[1-(6-ethylsulfanyl-2-naphthyl)butyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[1-[6-(ethylthio)-2-naphthalenyl]butyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[1-(6-ethylsulfanylnaphthalen-2-yl)butyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[1-[6-(ethylthio)-2-naphthyl]butyl]benzoyl]amino]propionic acid Formula: C26H29NO3S MolecularWeight: 435.57836

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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)SCC

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)C2=CC3=C(C=C2)C=C(C=C3)SCC

InChI

InChI=1S/C26H29NO3S/c1-3-5-24(18-6-8-19(9-7-18)26(30)27-15-14-25(28)29)22-11-10-21-17-23(31-4-2)13-12-20(21)16-22/h6-13,16-17,24H,3-5,14-15H2,1-2H3,(H,27,30)(H,28,29)