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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-10(12-5-4-6-14(7-12)23-3)18-15(20)11(2)19-9-13(8-17-19)16(21)22/h4-11H,1-3H3,(H,18,20)(H,21,22)/p-1/t10-,11-/m0/s1