(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3,4-dipropoxyphenyl)carbonylbenzoate

Systemtic Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3,4-dipropoxyphenyl)carbonylbenzoate Openeye Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3,4-dipropoxybenzoyl)benzoate CAS Name: 2-[(3,4-dipropoxyphenyl)-oxomethyl]benzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(3,4-dipropoxybenzoyl)benzoate Traditional Name: 2-(3,4-dipropoxybenzoyl)benzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C24H26N2O6 MolecularWeight: 438.47304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NO3)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NO3)C)OCCC

InChI

InChI=1S/C24H26N2O6/c1-4-12-29-20-11-10-17(14-21(20)30-13-5-2)23(27)18-8-6-7-9-19(18)24(28)31-15-22-25-16(3)26-32-22/h6-11,14H,4-5,12-13,15H2,1-3H3