[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3,4-trimethoxybenzoate

Systemtic Name: [(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3,4-trimethoxybenzoate Openeye Name: [(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C21H25NO6/c1-6-22(15-10-8-7-9-11-15)20(23)14(2)28-21(24)16-12-13-17(25-3)19(27-5)18(16)26-4/h7-14H,6H2,1-5H3/t14-/m0/s1