methyl (E)-3-[(2S,5R)-1-ethanoyl-5-(4-iodanylpyridin-3-yl)pyrrolidin-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[(2S,5R)-1-ethanoyl-5-(4-iodanylpyridin-3-yl)pyrrolidin-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[(2S,5R)-1-acetyl-5-(4-iodo-3-pyridyl)pyrrolidin-2-yl]prop-2-enoate CAS Name: (E)-3-[(2S,5R)-1-acetyl-5-(4-iodo-3-pyridinyl)-2-pyrrolidinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(2S,5R)-1-acetyl-5-(4-iodopyridin-3-yl)pyrrolidin-2-yl]prop-2-enoate Traditional Name: (E)-3-[(2S,5R)-1-acetyl-5-(4-iodo-3-pyridyl)pyrrolidin-2-yl]acrylic acid methyl ester Formula: C15H17IN2O3 MolecularWeight: 400.21155

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CCC1C2=C(C=CN=C2)I)C=CC(=O)OC

Isomeric SMILES

CC(=O)N1[C@@H](CC[C@@H]1C2=C(C=CN=C2)I)/C=C/C(=O)OC

InChI

InChI=1S/C15H17IN2O3/c1-10(19)18-11(4-6-15(20)21-2)3-5-14(18)12-9-17-8-7-13(12)16/h4,6-9,11,14H,3,5H2,1-2H3/b6-4+/t11-,14+/m0/s1