3-[4-[3-[(7-butyl-3-phenyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[(7-butyl-3-phenyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-[(7-butyl-3-phenyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenyl]propanoic acid CAS Name: 3-[4-[3-[(7-butyl-3-phenyl-1,2-benzoxazol-6-yl)oxy]propylthio]phenyl]propanoic acid IUPAC Name: 3-[4-[3-[(7-butyl-3-phenyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(7-butyl-3-phenyl-indoxazen-6-yl)oxypropylthio]phenyl]propionic acid Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC2=C1ON=C2C3=CC=CC=C3)OCCCSC4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CCCCC1=C(C=CC2=C1ON=C2C3=CC=CC=C3)OCCCSC4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C29H31NO4S/c1-2-3-10-24-26(17-16-25-28(30-34-29(24)25)22-8-5-4-6-9-22)33-19-7-20-35-23-14-11-21(12-15-23)13-18-27(31)32/h4-6,8-9,11-12,14-17H,2-3,7,10,13,18-20H2,1H3,(H,31,32)