[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-propoxy-benzoate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 3-methoxy-4-propoxy-benzoate CAS Name: 3-methoxy-4-propoxybenzoic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate Traditional Name: 3-methoxy-4-propoxy-benzoic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-5-11-26-18-10-9-16(12-19(18)25-4)21(24)27-13-20(23)22-17-8-6-7-14(2)15(17)3/h6-10,12H,5,11,13H2,1-4H3,(H,22,23)