butyl 4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]benzoic acid butyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=C(N(N=C2C)CC(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=C(N(N=C2C)CC(C)C)C

InChI

InChI=1S/C22H31N3O3/c1-6-7-12-28-22(27)18-8-10-19(11-9-18)23-21(26)13-20-16(4)24-25(17(20)5)14-15(2)3/h8-11,15H,6-7,12-14H2,1-5H3,(H,23,26)