[(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H21N3O4/c1-3-27-19-8-5-4-7-18(19)23-20(25)15(2)28-21(26)16-9-11-17(12-10-16)24-14-6-13-22-24/h4-15H,3H2,1-2H3,(H,23,25)/t15-/m0/s1