4-[[(1-propan-2-ylpyrrol-2-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(1-propan-2-ylpyrrol-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(1-isopropylpyrrole-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo-(1-propan-2-yl-2-pyrrolyl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(1-propan-2-ylpyrrole-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(1-isopropylpyrrole-2-carbonyl)amino]methyl]benzoic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC=C1C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)N1C=CC=C1C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H18N2O3/c1-11(2)18-9-3-4-14(18)15(19)17-10-12-5-7-13(8-6-12)16(20)21/h3-9,11H,10H2,1-2H3,(H,17,19)(H,20,21)