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

Systemtic Name: ethyl 1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[4-(3,5-ditert-butyl-1-pyrazolyl)phenyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[4-(3,5-ditert-butylpyrazol-1-yl)phenyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C31H37N3O2 MolecularWeight: 483.64438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)N4C(=CC(=N4)C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)N4C(=CC(=N4)C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C31H37N3O2/c1-9-36-29(35)25-19-26(22-13-11-10-12-14-22)33(21(25)2)23-15-17-24(18-16-23)34-28(31(6,7)8)20-27(32-34)30(3,4)5/h10-20H,9H2,1-8H3