tert-butyl 5-[(3,3-dimethyl-5-oxidanylidene-oxolan-2-yl)-oxidanyl-methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-[(3,3-dimethyl-5-oxidanylidene-oxolan-2-yl)-oxidanyl-methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-[(3,3-dimethyl-5-oxo-tetrahydrofuran-2-yl)-hydroxy-methyl]-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(3,3-dimethyl-5-oxo-2-oxolanyl)-hydroxymethyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(3,3-dimethyl-5-oxooxolan-2-yl)-hydroxymethyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[hydroxy-(5-keto-3,3-dimethyl-tetrahydrofuran-2-yl)methyl]-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C21H31NO7 MolecularWeight: 409.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)C(C2C(CC(=O)O2)(C)C)O

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)C(C2C(CC(=O)O2)(C)C)O

InChI

InChI=1S/C21H31NO7/c1-11-12(8-9-13(23)27-7)16(19(26)29-20(2,3)4)22-15(11)17(25)18-21(5,6)10-14(24)28-18/h17-18,22,25H,8-10H2,1-7H3