[4-(5-octyl-1,3-benzoxazol-2-yl)phenyl] heptanoate

Systemtic Name: [4-(5-octyl-1,3-benzoxazol-2-yl)phenyl] heptanoate Openeye Name: [4-(5-octyl-1,3-benzoxazol-2-yl)phenyl] heptanoate CAS Name: heptanoic acid [4-(5-octyl-1,3-benzoxazol-2-yl)phenyl] ester IUPAC Name: [4-(5-octyl-1,3-benzoxazol-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [4-(5-octyl-1,3-benzoxazol-2-yl)phenyl] ester Formula: C28H37NO3 MolecularWeight: 435.59828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)OC(=O)CCCCCC

InChI

InChI=1S/C28H37NO3/c1-3-5-7-9-10-11-13-22-15-20-26-25(21-22)29-28(32-26)23-16-18-24(19-17-23)31-27(30)14-12-8-6-4-2/h15-21H,3-14H2,1-2H3