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

Systemtic Name: methyl 4-[2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]benzoate CAS Name: 4-[2-[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]benzoate Traditional Name: 4-[2-[3-(1-phenylpyrazol-4-yl)propanoylamino]ethyl]benzoic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-28-22(27)19-10-7-17(8-11-19)13-14-23-21(26)12-9-18-15-24-25(16-18)20-5-3-2-4-6-20/h2-8,10-11,15-16H,9,12-14H2,1H3,(H,23,26)