methyl (2S)-2-[(3R,4R)-6-bromanyl-3-morpholin-4-ylcarbonyl-2-oxidanylidene-3,4-dihydrochromen-4-yl]propanoate

Systemtic Name: methyl (2S)-2-[(3R,4R)-6-bromanyl-3-morpholin-4-ylcarbonyl-2-oxidanylidene-3,4-dihydrochromen-4-yl]propanoate Openeye Name: methyl (2S)-2-[(3R,4R)-6-bromo-3-(morpholine-4-carbonyl)-2-oxo-chroman-4-yl]propanoate CAS Name: (2S)-2-[(3R,4R)-6-bromo-3-[4-morpholinyl(oxo)methyl]-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3R,4R)-6-bromo-3-(morpholine-4-carbonyl)-2-oxo-3,4-dihydrochromen-4-yl]propanoate Traditional Name: (2S)-2-[(3R,4R)-6-bromo-2-keto-3-(morpholine-4-carbonyl)chroman-4-yl]propionic acid methyl ester Formula: C18H20BrNO6 MolecularWeight: 426.2585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(C(=O)OC2=C1C=C(C=C2)Br)C(=O)N3CCOCC3)C(=O)OC

Isomeric SMILES

C[C@@H]([C@@H]1[C@@H](C(=O)OC2=C1C=C(C=C2)Br)C(=O)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C18H20BrNO6/c1-10(17(22)24-2)14-12-9-11(19)3-4-13(12)26-18(23)15(14)16(21)20-5-7-25-8-6-20/h3-4,9-10,14-15H,5-8H2,1-2H3/t10-,14-,15+/m0/s1