tert-butyl 3,4-dimethyl-5-[(E)-(5-oxidanylideneoxolan-2-ylidene)-phenyl-methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3,4-dimethyl-5-[(E)-(5-oxidanylideneoxolan-2-ylidene)-phenyl-methyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3,4-dimethyl-5-[(E)-(5-oxotetrahydrofuran-2-ylidene)-phenyl-methyl]-1H-pyrrole-2-carboxylate CAS Name: 3,4-dimethyl-5-[(E)-(5-oxo-2-oxolanylidene)-phenylmethyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,4-dimethyl-5-[(E)-(5-oxooxolan-2-ylidene)-phenylmethyl]-1H-pyrrole-2-carboxylate Traditional Name: 5-[(E)-(5-ketotetrahydrofuran-2-ylidene)-phenyl-methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C(=O)OC(C)(C)C)C(=C2CCC(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C)C(=O)OC(C)(C)C)/C(=C/2\CCC(=O)O2)/C3=CC=CC=C3

InChI

InChI=1S/C22H25NO4/c1-13-14(2)20(21(25)27-22(3,4)5)23-19(13)18(15-9-7-6-8-10-15)16-11-12-17(24)26-16/h6-10,23H,11-12H2,1-5H3/b18-16+