ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methoxy]ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methoxy]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[(1-phenylpyrazol-4-yl)methoxy]ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[(1-phenyl-4-pyrazolyl)methoxy]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[(1-phenylpyrazol-4-yl)methoxy]ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[(1-phenylpyrazol-4-yl)methoxy]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)OCC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)OCC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O4/c1-4-27-21(26)19-10-15(2)23(16(19)3)13-20(25)28-14-17-11-22-24(12-17)18-8-6-5-7-9-18/h5-12H,4,13-14H2,1-3H3