ethyl (3S)-4-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-methyl-piperazine-1-carboxylate

Systemtic Name: ethyl (3S)-4-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-methyl-piperazine-1-carboxylate Openeye Name: ethyl (3S)-4-[[5-(3-chlorophenyl)isoxazol-3-yl]methyl]-3-methyl-piperazine-1-carboxylate CAS Name: (3S)-4-[[5-(3-chlorophenyl)-3-isoxazolyl]methyl]-3-methyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[[5-(3-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-methylpiperazine-1-carboxylate Traditional Name: (3S)-4-[[5-(3-chlorophenyl)isoxazol-3-yl]methyl]-3-methyl-piperazine-1-carboxylic acid ethyl ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C(C1)C)CC2=NOC(=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN([C@H](C1)C)CC2=NOC(=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-3-24-18(23)22-8-7-21(13(2)11-22)12-16-10-17(25-20-16)14-5-4-6-15(19)9-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3/t13-/m0/s1