5-(2-morpholin-4-ylethoxy)-1-[4-(2-phenylmethoxyphenyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: 5-(2-morpholin-4-ylethoxy)-1-[4-(2-phenylmethoxyphenyl)phenyl]pyrazole-4-carboxylate Openeye Name: 1-[4-(2-benzyloxyphenyl)phenyl]-5-(2-morpholinoethoxy)pyrazole-4-carboxylate CAS Name: 5-[2-(4-morpholinyl)ethoxy]-1-[4-(2-phenylmethoxyphenyl)phenyl]-4-pyrazolecarboxylate IUPAC Name: 5-(2-morpholin-4-ylethoxy)-1-[4-(2-phenylmethoxyphenyl)phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-(2-benzoxyphenyl)phenyl]-5-(2-morpholinoethoxy)pyrazole-4-carboxylate Formula: C29H28N3O5- MolecularWeight: 498.54972

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC2=C(C=NN2C3=CC=C(C=C3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1COCCN1CCOC2=C(C=NN2C3=CC=C(C=C3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C29H29N3O5/c33-29(34)26-20-30-32(28(26)36-19-16-31-14-17-35-18-15-31)24-12-10-23(11-13-24)25-8-4-5-9-27(25)37-21-22-6-2-1-3-7-22/h1-13,20H,14-19,21H2,(H,33,34)/p-1