1-methyl-4-(3,5,5-trimethylhexanoyl)pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-(3,5,5-trimethylhexanoyl)pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-(3,5,5-trimethylhexanoyl)pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-(3,5,5-trimethyl-1-oxohexyl)-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-(3,5,5-trimethylhexanoyl)pyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-(3,5,5-trimethylhexanoyl)pyrrole-2-carboxylic acid Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CN(C(=C1)C(=O)O)C)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)C1=CN(C(=C1)C(=O)O)C)CC(C)(C)C

InChI

InChI=1S/C15H23NO3/c1-10(8-15(2,3)4)6-13(17)11-7-12(14(18)19)16(5)9-11/h7,9-10H,6,8H2,1-5H3,(H,18,19)