[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H21N3O3/c1-15(21(26)24-19-9-6-16-4-2-5-18(16)14-19)28-22(27)17-7-10-20(11-8-17)25-13-3-12-23-25/h3,6-15H,2,4-5H2,1H3,(H,24,26)/t15-/m0/s1