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

Systemtic Name: 1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-2-keto-2-[2-(4-methoxyphenyl)ethylamino]-1-methyl-ethyl]pyrazole-3-carboxylate Formula: C16H18N3O4- MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-11(19-10-8-14(18-19)16(21)22)15(20)17-9-7-12-3-5-13(23-2)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)(H,21,22)/p-1/t11-/m0/s1