[(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 3-acetamidopropanoate

Systemtic Name: [(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-oxidanylidene-propan-2-yl] 3-acetamidopropanoate Openeye Name: [(1S)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-methyl-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [(2S)-1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [(1S)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-1-methyl-ethyl] ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C(C)OC(=O)CCNC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)[C@H](C)OC(=O)CCNC(=O)C

InChI

InChI=1S/C20H23ClN2O4/c1-12-11-18(13(2)23(12)17-7-5-16(21)6-8-17)20(26)14(3)27-19(25)9-10-22-15(4)24/h5-8,11,14H,9-10H2,1-4H3,(H,22,24)/t14-/m0/s1