dimethyl 2-[[(2S,3R)-3-acetyloxy-2-bromanyl-butanoyl]-(4-methoxyphenyl)amino]propanedioate

Systemtic Name: dimethyl 2-[[(2S,3R)-3-acetyloxy-2-bromanyl-butanoyl]-(4-methoxyphenyl)amino]propanedioate Openeye Name: dimethyl 2-(N-[(2S,3R)-3-acetoxy-2-bromo-butanoyl]-4-methoxy-anilino)propanedioate CAS Name: 2-(N-[(2S,3R)-3-acetyloxy-2-bromo-1-oxobutyl]-4-methoxyanilino)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(N-[(2S,3R)-3-acetyloxy-2-bromobutanoyl]-4-methoxyanilino)propanedioate Traditional Name: 2-(N-[(2S,3R)-3-acetoxy-2-bromo-butanoyl]-4-methoxy-anilino)malonic acid dimethyl ester Formula: C18H22BrNO8 MolecularWeight: 460.27318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N(C1=CC=C(C=C1)OC)C(C(=O)OC)C(=O)OC)Br)OC(=O)C

Isomeric SMILES

C[C@H]([C@@H](C(=O)N(C1=CC=C(C=C1)OC)C(C(=O)OC)C(=O)OC)Br)OC(=O)C

InChI

InChI=1S/C18H22BrNO8/c1-10(28-11(2)21)14(19)16(22)20(12-6-8-13(25-3)9-7-12)15(17(23)26-4)18(24)27-5/h6-10,14-15H,1-5H3/t10-,14+/m1/s1