[4-(3-oxidanylidene-2-propan-2-yloxycarbonyl-but-1-enyl)phenyl] benzoate

Systemtic Name: [4-(3-oxidanylidene-2-propan-2-yloxycarbonyl-but-1-enyl)phenyl] benzoate Openeye Name: [4-(2-isopropoxycarbonyl-3-oxo-but-1-enyl)phenyl] benzoate CAS Name: benzoic acid [4-[3-oxo-2-[oxo(propan-2-yloxy)methyl]but-1-enyl]phenyl] ester IUPAC Name: [4-(3-oxo-2-propan-2-yloxycarbonylbut-1-enyl)phenyl] benzoate Traditional Name: benzoic acid [4-(2-isopropoxycarbonyl-3-keto-but-1-enyl)phenyl] ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC(C)OC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C21H20O5/c1-14(2)25-21(24)19(15(3)22)13-16-9-11-18(12-10-16)26-20(23)17-7-5-4-6-8-17/h4-14H,1-3H3