methyl 3-(1H-indol-3-yl)-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoate

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propionic acid methyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H26N4O3/c1-13-16(14(2)25(3)24-13)9-10-20(26)23-19(21(27)28-4)11-15-12-22-18-8-6-5-7-17(15)18/h5-8,12,19,22H,9-11H2,1-4H3,(H,23,26)