methyl 3-[3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[(4-benzyloxyphenyl)methyl]-3-phenyl-pyrazol-4-yl]propanoate CAS Name: 3-[3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]propanoate Traditional Name: 3-[1-(4-benzoxybenzyl)-3-phenyl-pyrazol-4-yl]propionic acid methyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3/c1-31-26(30)17-14-24-19-29(28-27(24)23-10-6-3-7-11-23)18-21-12-15-25(16-13-21)32-20-22-8-4-2-5-9-22/h2-13,15-16,19H,14,17-18,20H2,1H3