[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H25NO5/c1-4-15-6-5-7-17(12-15)22-20(23)14-27-21(24)11-9-16-8-10-18(25-2)19(13-16)26-3/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,22,23)