diethyl 2-[[3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methyl]propanedioate

Systemtic Name: diethyl 2-[[3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methyl]propanedioate Openeye Name: diethyl 2-[[1-[(4-benzyloxyphenyl)methyl]-3-phenyl-pyrazol-4-yl]methyl]propanedioate CAS Name: 2-[[3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]-4-pyrazolyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methyl]propanedioate Traditional Name: 2-[[1-(4-benzoxybenzyl)-3-phenyl-pyrazol-4-yl]methyl]malonic acid diethyl ester Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C31H32N2O5/c1-3-36-30(34)28(31(35)37-4-2)19-26-21-33(32-29(26)25-13-9-6-10-14-25)20-23-15-17-27(18-16-23)38-22-24-11-7-5-8-12-24/h5-18,21,28H,3-4,19-20,22H2,1-2H3