4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde

Systemtic Name: 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde Openeye Name: 4-[5-(4-pentoxyphenyl)isoxazol-3-yl]benzaldehyde CAS Name: 4-[5-(4-pentoxyphenyl)-3-isoxazolyl]benzaldehyde IUPAC Name: 4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde Traditional Name: 4-[5-(4-amoxyphenyl)isoxazol-3-yl]benzaldehyde Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C=O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C=O

InChI

InChI=1S/C21H21NO3/c1-2-3-4-13-24-19-11-9-18(10-12-19)21-14-20(22-25-21)17-7-5-16(15-23)6-8-17/h5-12,14-15H,2-4,13H2,1H3