[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CC(=CC(=C2)OC)OC

InChI

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