ethyl 5-methyl-1-[4-(phenylmethoxycarbamoyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-(phenylmethoxycarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(benzyloxycarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-(phenylmethoxyamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(phenylmethoxycarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-(benzoxycarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NOCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NOCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O4/c1-3-27-21(26)19-13-22-24(15(19)2)18-11-9-17(10-12-18)20(25)23-28-14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,23,25)