ethyl 4-[(2S)-2-(4-chloranyl-3-methyl-phenoxy)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-(4-chloranyl-3-methyl-phenoxy)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-(4-chloro-3-methyl-phenoxy)propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-(4-chloro-3-methylphenoxy)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(4-chloro-3-methyl-phenoxy)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)OC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C)OC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C17H23ClN2O4/c1-4-23-17(22)20-9-7-19(8-10-20)16(21)13(3)24-14-5-6-15(18)12(2)11-14/h5-6,11,13H,4,7-10H2,1-3H3/t13-/m0/s1