[3-[[(2S,3S)-3-acetyloxy-4-chloranyl-4-oxidanylidene-1-phenyl-butan-2-yl]carbamoyl]-2-methyl-phenyl] ethanoate

Systemtic Name: [3-[[(2S,3S)-3-acetyloxy-4-chloranyl-4-oxidanylidene-1-phenyl-butan-2-yl]carbamoyl]-2-methyl-phenyl] ethanoate Openeye Name: [3-[[(1S,2S)-2-acetoxy-1-benzyl-3-chloro-3-oxo-propyl]carbamoyl]-2-methyl-phenyl] acetate CAS Name: acetic acid [3-[[[(2S,3S)-3-acetyloxy-4-chloro-4-oxo-1-phenylbutan-2-yl]amino]-oxomethyl]-2-methylphenyl] ester IUPAC Name: [3-[[(2S,3S)-3-acetyloxy-4-chloro-4-oxo-1-phenylbutan-2-yl]carbamoyl]-2-methylphenyl] acetate Traditional Name: acetic acid [3-[[(1S,2S)-2-acetoxy-1-benzyl-3-chloro-3-keto-propyl]carbamoyl]-2-methyl-phenyl] ester Formula: C22H22ClNO6 MolecularWeight: 431.86618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(C(=O)Cl)OC(=O)C

Isomeric SMILES

CC1=C(C=CC=C1OC(=O)C)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)Cl)OC(=O)C

InChI

InChI=1S/C22H22ClNO6/c1-13-17(10-7-11-19(13)29-14(2)25)22(28)24-18(12-16-8-5-4-6-9-16)20(21(23)27)30-15(3)26/h4-11,18,20H,12H2,1-3H3,(H,24,28)/t18-,20-/m0/s1