[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl] ester Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24ClN3O4/c1-16(24-21(28)17-6-3-2-4-7-17)22(29)30-15-20(27)26-12-10-25(11-13-26)19-9-5-8-18(23)14-19/h2-9,14,16H,10-13,15H2,1H3,(H,24,28)/t16-/m0/s1