1-(3,5-dimethylpyrazol-4-ylidene)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-1-olate

Systemtic Name: 1-(3,5-dimethylpyrazol-4-ylidene)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-1-olate Openeye Name: 2-(tert-butoxycarbonylamino)-1-(3,5-dimethylpyrazol-4-ylidene)-3-(1H-indol-3-yl)propan-1-olate CAS Name: 1-(3,5-dimethyl-4-pyrazolylidene)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-propanolate IUPAC Name: 1-(3,5-dimethylpyrazol-4-ylidene)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-1-olate Traditional Name: 2-(tert-butoxycarbonylamino)-1-(3,5-dimethylpyrazol-4-ylidene)-3-(1H-indol-3-yl)propan-1-olate Formula: C21H25N4O3- MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C1=C(C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C)[O-])C

Isomeric SMILES

CC1=NN=C(C1=C(C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C)[O-])C

InChI

InChI=1S/C21H26N4O3/c1-12-18(13(2)25-24-12)19(26)17(23-20(27)28-21(3,4)5)10-14-11-22-16-9-7-6-8-15(14)16/h6-9,11,17,22,26H,10H2,1-5H3,(H,23,27)/p-1