propan-2-yl 4-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: propan-2-yl 4-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: isopropyl 4-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4E)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-(3-ethoxy-4-propargyloxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid isopropyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)C)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)C)OCC#C

InChI

InChI=1S/C26H26N2O5/c1-6-14-32-23-13-8-19(16-24(23)31-7-2)15-22-18(5)27-28(25(22)29)21-11-9-20(10-12-21)26(30)33-17(3)4/h1,8-13,15-17H,7,14H2,2-5H3/b22-15+