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

Systemtic Name: 3-cyanopropyl 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: 3-cyanopropyl 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 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 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 3-cyanopropyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCCCC#N)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCCCC#N)C)CCC(=O)OC

InChI

InChI=1S/C20H23N3O4/c1-14-18(10-11-19(24)26-3)15(2)23(22-14)17-8-6-16(7-9-17)20(25)27-13-5-4-12-21/h6-9H,4-5,10-11,13H2,1-3H3