[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-14(15-8-6-5-7-9-15)12-22-19(23)13-28-21(24)16-10-17(25-2)20(27-4)18(11-16)26-3/h5-11,14H,12-13H2,1-4H3,(H,22,23)/t14-/m1/s1