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

Systemtic Name: 2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]-3-propyl-phenyl]ethanoic acid Openeye Name: 2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]-3-propyl-phenyl]acetic acid CAS Name: 2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylthio]-3-propylphenyl]acetic acid IUPAC Name: 2-[4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]-3-propylphenyl]acetic acid Traditional Name: 2-[4-[3-(3-phenyl-7-propyl-indoxazen-6-yl)oxypropylthio]-3-propyl-phenyl]acetic acid Formula: C30H33NO4S MolecularWeight: 503.65232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CC(=O)O)SCCCOC2=C(C3=C(C=C2)C(=NO3)C4=CC=CC=C4)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)CC(=O)O)SCCCOC2=C(C3=C(C=C2)C(=NO3)C4=CC=CC=C4)CCC

InChI

InChI=1S/C30H33NO4S/c1-3-9-23-19-21(20-28(32)33)13-16-27(23)36-18-8-17-34-26-15-14-25-29(22-11-6-5-7-12-22)31-35-30(25)24(26)10-4-2/h5-7,11-16,19H,3-4,8-10,17-18,20H2,1-2H3,(H,32,33)