2-[2-iodanyl-3-(1-phenylmethoxypropan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-propanoate

Systemtic Name: 2-[2-iodanyl-3-(1-phenylmethoxypropan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-propanoate Openeye Name: 2-[3-(2-benzyloxy-1-methyl-ethyl)-2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-propanoate CAS Name: 2-[2-iodo-3-(1-phenylmethoxypropan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropanoate IUPAC Name: 2-[2-iodo-3-(1-phenylmethoxypropan-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylpropanoate Traditional Name: 2-[3-(2-benzoxy-1-methyl-ethyl)-2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-propionate Formula: C21H22IN2O3- MolecularWeight: 477.31545

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C2=C(NC3=NC=C(C=C23)C(C)(C)C(=O)[O-])I

Isomeric SMILES

CC(COCC1=CC=CC=C1)C2=C(NC3=NC=C(C=C23)C(C)(C)C(=O)[O-])I

InChI

InChI=1S/C21H23IN2O3/c1-13(11-27-12-14-7-5-4-6-8-14)17-16-9-15(21(2,3)20(25)26)10-23-19(16)24-18(17)22/h4-10,13H,11-12H2,1-3H3,(H,23,24)(H,25,26)/p-1