[2-methoxy-4-(3-oxidanylidenebutyl)phenyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-methoxy-4-(3-oxidanylidenebutyl)phenyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: [2-methoxy-4-(3-oxobutyl)phenyl] 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid [2-methoxy-4-(3-oxobutyl)phenyl] ester IUPAC Name: [2-methoxy-4-(3-oxobutyl)phenyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid [4-(3-ketobutyl)-2-methoxy-phenyl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)CCC(=O)C)OC

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)CCC(=O)C)OC

InChI

InChI=1S/C22H21NO5/c1-14(24)9-10-16-11-12-18(19(13-16)26-3)27-22(25)20-15(2)28-23-21(20)17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3