[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2,4-dimethyl-6-oxo-pyran-3-carboxylate CAS Name: 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate Traditional Name: 6-keto-2,4-dimethyl-pyran-3-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C)C

InChI

InChI=1S/C21H23NO6/c1-13-11-19(25)28-14(2)20(13)21(26)27-12-18(24)17-8-6-16(7-9-17)5-4-10-22-15(3)23/h6-9,11H,4-5,10,12H2,1-3H3,(H,22,23)