pyrazol-1-ylmethyl 4-(3-ethoxy-3-oxidanylidene-propyl)-3-phenyl-benzoate

Systemtic Name: pyrazol-1-ylmethyl 4-(3-ethoxy-3-oxidanylidene-propyl)-3-phenyl-benzoate Openeye Name: pyrazol-1-ylmethyl 4-(3-ethoxy-3-oxo-propyl)-3-phenyl-benzoate CAS Name: 4-(3-ethoxy-3-oxopropyl)-3-phenylbenzoic acid 1-pyrazolylmethyl ester IUPAC Name: pyrazol-1-ylmethyl 4-(3-ethoxy-3-oxopropyl)-3-phenylbenzoate Traditional Name: 4-(3-ethoxy-3-keto-propyl)-3-phenyl-benzoic acid pyrazol-1-ylmethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=C(C=C1)C(=O)OCN2C=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC1=C(C=C(C=C1)C(=O)OCN2C=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4/c1-2-27-21(25)12-11-18-9-10-19(15-20(18)17-7-4-3-5-8-17)22(26)28-16-24-14-6-13-23-24/h3-10,13-15H,2,11-12,16H2,1H3