1-[(2S)-1-oxidanylidene-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[[(1S)-1-phenylethyl]amino]ethyl]pyrazole-3-carboxylate Formula: C15H16N3O3- MolecularWeight: 286.30584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3/c1-10(12-6-4-3-5-7-12)16-14(19)11(2)18-9-8-13(17-18)15(20)21/h3-11H,1-2H3,(H,16,19)(H,20,21)/p-1/t10-,11-/m0/s1