methyl 4-[2-[3-(1-phenylpyrazol-4-yl)propanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-(1-phenylpyrazol-4-yl)propanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(1-phenylpyrazol-4-yl)propanoyloxy]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[1-oxo-3-(1-phenyl-4-pyrazolyl)propoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(1-phenylpyrazol-4-yl)propanoyloxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(1-phenylpyrazol-4-yl)propanoyloxy]acetyl]amino]benzoic acid methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-29-22(28)17-8-10-18(11-9-17)24-20(26)15-30-21(27)12-7-16-13-23-25(14-16)19-5-3-2-4-6-19/h2-6,8-11,13-14H,7,12,15H2,1H3,(H,24,26)