[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[(1S)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4/c1-14(20-11-16-9-5-6-10-19(16)29-20)23-21(26)13-28-22(27)18-12-17(24-25-18)15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)/t14-/m0/s1