(phenylmethyl) 4-[[4-(3-ethoxy-3-oxidanylidene-propyl)-3-phenyl-pyrazol-1-yl]methyl]benzoate

Systemtic Name: (phenylmethyl) 4-[[4-(3-ethoxy-3-oxidanylidene-propyl)-3-phenyl-pyrazol-1-yl]methyl]benzoate Openeye Name: benzyl 4-[[4-(3-ethoxy-3-oxo-propyl)-3-phenyl-pyrazol-1-yl]methyl]benzoate CAS Name: 4-[[4-(3-ethoxy-3-oxopropyl)-3-phenyl-1-pyrazolyl]methyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[4-(3-ethoxy-3-oxopropyl)-3-phenylpyrazol-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-ethoxy-3-keto-propyl)-3-phenyl-pyrazol-1-yl]methyl]benzoic acid benzyl ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O4/c1-2-34-27(32)18-17-26-20-31(30-28(26)24-11-7-4-8-12-24)19-22-13-15-25(16-14-22)29(33)35-21-23-9-5-3-6-10-23/h3-16,20H,2,17-19,21H2,1H3