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

Systemtic Name: 3-[[1-(phenylmethyl)pyrrol-2-yl]carbonylamino]butanoic acid Openeye Name: 3-[(1-benzylpyrrole-2-carbonyl)amino]butanoic acid CAS Name: 3-[[oxo-[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]butanoic acid IUPAC Name: 3-[(1-benzylpyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 3-[(1-benzylpyrrole-2-carbonyl)amino]butyric acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC=CN1CC2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC=CN1CC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3/c1-12(10-15(19)20)17-16(21)14-8-5-9-18(14)11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,17,21)(H,19,20)