3-methyl-2-[(3-pyrrol-1-ylphenyl)carbonylamino]butanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=CC=C1)N2C=CC=C2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=CC=C1)N2C=CC=C2

InChI

InChI=1S/C16H18N2O3/c1-11(2)14(16(20)21)17-15(19)12-6-5-7-13(10-12)18-8-3-4-9-18/h3-11,14H,1-2H3,(H,17,19)(H,20,21)