2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid Openeye Name: 2-[(tert-butoxycarbonylamino)methyl]-5-(4-pyridyl)-1H-pyrrole-3-carboxylic acid CAS Name: 2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid IUPAC Name: 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid Traditional Name: 2-[(tert-butoxycarbonylamino)methyl]-5-(4-pyridyl)-1H-pyrrole-3-carboxylic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=C(N1)C2=CC=NC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=C(N1)C2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C16H19N3O4/c1-16(2,3)23-15(22)18-9-13-11(14(20)21)8-12(19-13)10-4-6-17-7-5-10/h4-8,19H,9H2,1-3H3,(H,18,22)(H,20,21)