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

Systemtic Name: 3-[3-[3-[(7-butyl-3-phenyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenyl]propanoic acid Openeye Name: 3-[3-[3-[(7-butyl-3-phenyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenyl]propanoic acid CAS Name: 3-[3-[3-[(7-butyl-3-phenyl-1,2-benzoxazol-6-yl)oxy]propylthio]phenyl]propanoic acid IUPAC Name: 3-[3-[3-[(7-butyl-3-phenyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenyl]propanoic acid Traditional Name: 3-[3-[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=CC(=C4)CCC(=O)O

Isomeric SMILES

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

InChI

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