3-[(1-propylpyrrol-2-yl)carbonylamino]butanoic acid

Systemtic Name: 3-[(1-propylpyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 3-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid CAS Name: 3-[[oxo-(1-propyl-2-pyrrolyl)methyl]amino]butanoic acid IUPAC Name: 3-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 3-[(1-propylpyrrole-2-carbonyl)amino]butyric acid Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC=C1C(=O)NC(C)CC(=O)O

Isomeric SMILES

CCCN1C=CC=C1C(=O)NC(C)CC(=O)O

InChI

InChI=1S/C12H18N2O3/c1-3-6-14-7-4-5-10(14)12(17)13-9(2)8-11(15)16/h4-5,7,9H,3,6,8H2,1-2H3,(H,13,17)(H,15,16)