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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1ON=C2C3=CC=CC=C3)OCCCSC4=CC=C(C=C4)C(C)(C)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1ON=C2C3=CC=CC=C3)OCCCSC4=CC=C(C=C4)C(C)(C)C(=O)O

InChI

InChI=1S/C29H31NO4S/c1-4-9-23-25(17-16-24-26(30-34-27(23)24)20-10-6-5-7-11-20)33-18-8-19-35-22-14-12-21(13-15-22)29(2,3)28(31)32/h5-7,10-17H,4,8-9,18-19H2,1-3H3,(H,31,32)