[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C)C

InChI

InChI=1S/C22H25NO4/c1-15-6-11-20(16(2)13-15)22(26)27-14-21(25)19-9-7-18(8-10-19)5-4-12-23-17(3)24/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,24)