1-methyl-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-4-phenethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-methyl-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-4-phenethyl-pyrrole-3-carboxylic acid Openeye Name: 2-(2-isopropoxy-2-oxo-ethyl)-1-methyl-4-phenethyl-pyrrole-3-carboxylic acid CAS Name: 1-methyl-2-(2-oxo-2-propan-2-yloxyethyl)-4-phenethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-methyl-2-(2-oxo-2-propan-2-yloxyethyl)-4-phenethylpyrrole-3-carboxylic acid Traditional Name: 2-(2-isopropoxy-2-keto-ethyl)-1-methyl-4-phenethyl-pyrrole-3-carboxylic acid Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1=C(C(=CN1C)CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)OC(=O)CC1=C(C(=CN1C)CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H23NO4/c1-13(2)24-17(21)11-16-18(19(22)23)15(12-20(16)3)10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,22,23)