(4-tert-butyl-2-methyl-phenyl) 3-pyrrol-1-ylbenzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-pyrrol-1-ylbenzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C22H23NO2/c1-16-14-18(22(2,3)4)10-11-20(16)25-21(24)17-8-7-9-19(15-17)23-12-5-6-13-23/h5-15H,1-4H3