5-iodanyl-3-[1-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]ethyl]-4-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-iodanyl-3-[1-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]ethyl]-4-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[1-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]ethyl]-5-iodo-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-iodo-3-[1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-iodo-3-[1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[1-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]ethyl]-5-iodo-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C18H21IN2O4 MolecularWeight: 456.27481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)NC(CC2=CC=CC=C2)C(=O)OC)C(=O)O)I

Isomeric SMILES

CC1=C(NC(=C1C(C)NC(CC2=CC=CC=C2)C(=O)OC)C(=O)O)I

InChI

InChI=1S/C18H21IN2O4/c1-10-14(15(17(22)23)21-16(10)19)11(2)20-13(18(24)25-3)9-12-7-5-4-6-8-12/h4-8,11,13,20-21H,9H2,1-3H3,(H,22,23)