ethyl 1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[4-(3,5-ditert-butyl-1-pyrazolyl)phenyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)N3C(=CC(=N3)C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)N3C(=CC(=N3)C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C26H35N3O2/c1-10-31-24(30)21-15-17(2)28(18(21)3)19-11-13-20(14-12-19)29-23(26(7,8)9)16-22(27-29)25(4,5)6/h11-16H,10H2,1-9H3