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

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2,3-dimethoxybenzoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2,3-dimethoxybenzoate CAS Name: 2,3-dimethoxybenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2,3-dimethoxybenzoate Traditional Name: 2,3-dimethoxybenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C22H25NO6/c1-15(24)23-13-5-6-16-9-11-17(12-10-16)19(25)14-29-22(26)18-7-4-8-20(27-2)21(18)28-3/h4,7-12H,5-6,13-14H2,1-3H3,(H,23,24)