methyl (3S)-3-(4-bromophenyl)-3-[(6-morpholin-4-ylpyridin-3-yl)carbonylamino]propanoate

Systemtic Name: methyl (3S)-3-(4-bromophenyl)-3-[(6-morpholin-4-ylpyridin-3-yl)carbonylamino]propanoate Openeye Name: methyl (3S)-3-(4-bromophenyl)-3-[(6-morpholinopyridine-3-carbonyl)amino]propanoate CAS Name: (3S)-3-(4-bromophenyl)-3-[[[6-(4-morpholinyl)-3-pyridinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-bromophenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate Traditional Name: (3S)-3-(4-bromophenyl)-3-[(6-morpholinonicotinoyl)amino]propionic acid methyl ester Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)Br)NC(=O)C2=CN=C(C=C2)N3CCOCC3

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=C(C=C1)Br)NC(=O)C2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C20H22BrN3O4/c1-27-19(25)12-17(14-2-5-16(21)6-3-14)23-20(26)15-4-7-18(22-13-15)24-8-10-28-11-9-24/h2-7,13,17H,8-12H2,1H3,(H,23,26)/t17-/m0/s1