4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 5-tert-butoxycarbonyl-4-(3-methoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(3-methoxy-3-oxopropyl)-3-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3-methoxy-3-oxopropyl)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 5-tert-butoxycarbonyl-4-(3-keto-3-methoxy-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C15H21NO6 MolecularWeight: 311.33034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C15H21NO6/c1-8-9(6-7-10(17)21-5)12(16-11(8)13(18)19)14(20)22-15(2,3)4/h16H,6-7H2,1-5H3,(H,18,19)