1-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1S)-2-(homoveratrylamino)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylate Formula: C17H20N3O5- MolecularWeight: 346.3578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C17H21N3O5/c1-11(20-10-13(9-19-20)17(22)23)16(21)18-7-6-12-4-5-14(24-2)15(8-12)25-3/h4-5,8-11H,6-7H2,1-3H3,(H,18,21)(H,22,23)/p-1/t11-/m0/s1