[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=CC(=C3O)C(C)C)C(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=CC(=C3O)C(C)C)C(C)C

InChI

InChI=1S/C27H31NO4/c1-16(2)20-13-22(17(3)4)26(30)24(14-20)27(31)32-15-25(29)23-12-18(5)28(19(23)6)21-10-8-7-9-11-21/h7-14,16-17,30H,15H2,1-6H3