ethyl 3-[2-[4-[(2-fluorophenyl)carbonylamino]pyrazol-1-yl]ethanoylamino]-5-methyl-hexanoate

Systemtic Name: ethyl 3-[2-[4-[(2-fluorophenyl)carbonylamino]pyrazol-1-yl]ethanoylamino]-5-methyl-hexanoate Openeye Name: ethyl 3-[[2-[4-[(2-fluorobenzoyl)amino]pyrazol-1-yl]acetyl]amino]-5-methyl-hexanoate CAS Name: 3-[[2-[4-[[(2-fluorophenyl)-oxomethyl]amino]-1-pyrazolyl]-1-oxoethyl]amino]-5-methylhexanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-[(2-fluorobenzoyl)amino]pyrazol-1-yl]acetyl]amino]-5-methylhexanoate Traditional Name: 3-[[2-[4-[(2-fluorobenzoyl)amino]pyrazol-1-yl]acetyl]amino]-5-methyl-hexanoic acid ethyl ester Formula: C21H27FN4O4 MolecularWeight: 418.461883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(C)C)NC(=O)CN1C=C(C=N1)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)CC(CC(C)C)NC(=O)CN1C=C(C=N1)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C21H27FN4O4/c1-4-30-20(28)10-15(9-14(2)3)24-19(27)13-26-12-16(11-23-26)25-21(29)17-7-5-6-8-18(17)22/h5-8,11-12,14-15H,4,9-10,13H2,1-3H3,(H,24,27)(H,25,29)