[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CC=C2C)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CC=C2C)C)OCC

InChI

InChI=1S/C23H29NO5/c1-6-13-28-19-12-11-18(14-20(19)27-7-2)23(26)29-17(5)22(25)24-21-15(3)9-8-10-16(21)4/h8-12,14,17H,6-7,13H2,1-5H3,(H,24,25)