[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[[(1R)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[[(1R)-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=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H19N3O4/c1-15(20-13-17-5-2-3-6-19(17)29-20)24-21(26)14-28-22(27)16-7-9-18(10-8-16)25-12-4-11-23-25/h2-13,15H,14H2,1H3,(H,24,26)/t15-/m1/s1