[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C21H21N3O3/c1-16(18-6-3-2-4-7-18)23-20(25)15-27-21(26)19-10-8-17(9-11-19)14-24-13-5-12-22-24/h2-13,16H,14-15H2,1H3,(H,23,25)/t16-/m0/s1