[4-[3-(3-acetyloxyphenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[3-(3-acetyloxyphenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[3-(3-acetoxyphenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[3-(3-acetyloxyphenyl)-1-oxoprop-2-enyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[3-(3-acetyloxyphenyl)prop-2-enoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[[3-(3-acetoxyphenyl)acryloyl]amino]pyrazol-1-yl]methyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C=CC(=O)NC2=CN(N=C2)COC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C=CC(=O)NC2=CN(N=C2)COC(=O)C(C)(C)C

InChI

InChI=1S/C20H23N3O5/c1-14(24)28-17-7-5-6-15(10-17)8-9-18(25)22-16-11-21-23(12-16)13-27-19(26)20(2,3)4/h5-12H,13H2,1-4H3,(H,22,25)