1H-pyrrol-2-ylmethyl 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: 1H-pyrrol-2-ylmethyl 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: 1H-pyrrol-2-ylmethyl 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid 1H-pyrrol-2-ylmethyl ester IUPAC Name: 1H-pyrrol-2-ylmethyl 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid 1H-pyrrol-2-ylmethyl ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCC2=CC=CN2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCC2=CC=CN2

InChI

InChI=1S/C20H27NO3/c1-19(2,3)15-10-13(11-16(17(15)22)20(4,5)6)18(23)24-12-14-8-7-9-21-14/h7-11,21-22H,12H2,1-6H3