[2-oxidanylidene-2-(propylamino)ethyl] 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 4-[4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate CAS Name: 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1-pyrazolyl]benzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate Traditional Name: 4-[4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)OC)C

Isomeric SMILES

CCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)CCC(=O)OC)C

InChI

InChI=1S/C21H27N3O5/c1-5-12-22-19(25)13-29-21(27)16-6-8-17(9-7-16)24-15(3)18(14(2)23-24)10-11-20(26)28-4/h6-9H,5,10-13H2,1-4H3,(H,22,25)