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

Systemtic Name: methyl 4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-3-methyl-benzoate Openeye Name: methyl 4-[3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoylamino]-3-methyl-benzoate CAS Name: 4-[[3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxopropyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-3-methylbenzoate Traditional Name: 4-[3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoylamino]-3-methyl-benzoic acid methyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCC2=C(N(N=C2C)CC(C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCC2=C(N(N=C2C)CC(C)C)C

InChI

InChI=1S/C21H29N3O3/c1-13(2)12-24-16(5)18(15(4)23-24)8-10-20(25)22-19-9-7-17(11-14(19)3)21(26)27-6/h7,9,11,13H,8,10,12H2,1-6H3,(H,22,25)