2,5-dimethyl-1-[2-oxidanylidene-2-(propylamino)ethyl]pyrrole-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-1-[2-oxidanylidene-2-(propylamino)ethyl]pyrrole-3-carboxylic acid Openeye Name: 2,5-dimethyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylic acid CAS Name: 2,5-dimethyl-1-[2-oxo-2-(propylamino)ethyl]-3-pyrrolecarboxylic acid IUPAC Name: 2,5-dimethyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylic acid Traditional Name: 1-[2-keto-2-(propylamino)ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C12H18N2O3 MolecularWeight: 238.28292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1C(=CC(=C1C)C(=O)O)C

Isomeric SMILES

CCCNC(=O)CN1C(=CC(=C1C)C(=O)O)C

InChI

InChI=1S/C12H18N2O3/c1-4-5-13-11(15)7-14-8(2)6-10(9(14)3)12(16)17/h6H,4-5,7H2,1-3H3,(H,13,15)(H,16,17)