methyl 2-methoxy-5-[[3-(1-phenylpyrazol-4-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[3-(1-phenylpyrazol-4-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[3-(1-phenylpyrazol-4-yl)propanoylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[3-(1-phenylpyrazol-4-yl)propanoylamino]methyl]benzoate Traditional Name: 2-methoxy-5-[[3-(1-phenylpyrazol-4-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-28-20-10-8-16(12-19(20)22(27)29-2)13-23-21(26)11-9-17-14-24-25(15-17)18-6-4-3-5-7-18/h3-8,10,12,14-15H,9,11,13H2,1-2H3,(H,23,26)