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2-[7-(4,5-diphenyl-1,3-oxazol-2-yl)heptyl]propanedioic acid

2-[7-(4,5-diphenyl-1,3-oxazol-2-yl)heptyl]propanedioic acid

Systemtic Name:2-[7-(4,5-diphenyl-1,3-oxazol-2-yl)heptyl]propanedioic acid
Openeye Name:2-[7-(4,5-diphenyloxazol-2-yl)heptyl]propanedioic acid
CAS Name:2-[7-(4,5-diphenyl-2-oxazolyl)heptyl]propanedioic acid
IUPAC Name:2-[7-(4,5-diphenyl-1,3-oxazol-2-yl)heptyl]propanedioic acid
Traditional Name:2-[7-(4,5-diphenyloxazol-2-yl)heptyl]malonic acid
Formula: C25H27NO5
MolecularWeight: 421.48558
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=N2)CCCCCCCC(C(=O)O)C(=O)O)C3=CC=CC=C3


Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)CCCCCCCC(C(=O)O)C(=O)O)C3=CC=CC=C3


InChI

InChI=1S/C25H27NO5/c27-24(28)20(25(29)30)16-10-2-1-3-11-17-21-26-22(18-12-6-4-7-13-18)23(31-21)19-14-8-5-9-15-19/h4-9,12-15,20H,1-3,10-11,16-17H2,(H,27,28)(H,29,30)


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