4-[4-[4-(1,3-benzoxazol-2-ylamino)phenyl]phenyl]-4-oxidanylidene-2-phenethyl-butanoic acid

Systemtic Name: 4-[4-[4-(1,3-benzoxazol-2-ylamino)phenyl]phenyl]-4-oxidanylidene-2-phenethyl-butanoic acid Openeye Name: 4-[4-[4-(1,3-benzoxazol-2-ylamino)phenyl]phenyl]-4-oxo-2-phenethyl-butanoic acid CAS Name: 4-[4-[4-(1,3-benzoxazol-2-ylamino)phenyl]phenyl]-4-oxo-2-phenethylbutanoic acid IUPAC Name: 4-[4-[4-(1,3-benzoxazol-2-ylamino)phenyl]phenyl]-4-oxo-2-phenethylbutanoic acid Traditional Name: 4-[4-[4-(1,3-benzoxazol-2-ylamino)phenyl]phenyl]-4-keto-2-phenethyl-butyric acid Formula: C31H26N2O4 MolecularWeight: 490.54914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)NC4=NC5=CC=CC=C5O4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)NC4=NC5=CC=CC=C5O4)C(=O)O

InChI

InChI=1S/C31H26N2O4/c34-28(20-25(30(35)36)11-10-21-6-2-1-3-7-21)24-14-12-22(13-15-24)23-16-18-26(19-17-23)32-31-33-27-8-4-5-9-29(27)37-31/h1-9,12-19,25H,10-11,20H2,(H,32,33)(H,35,36)