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

Systemtic Name: methyl 5-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CC(=O)NCC2=CC(=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CC(=O)NCC2=CC(=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C21H29N3O4/c1-13(2)12-24-15(4)17(14(3)23-24)10-20(25)22-11-16-7-8-19(27-5)18(9-16)21(26)28-6/h7-9,13H,10-12H2,1-6H3,(H,22,25)