[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1,3-benzoxazole-4-carboxylate

Systemtic Name: [2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1,3-benzoxazole-4-carboxylate Openeye Name: [2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl] 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-carboxylic acid [2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl] 1,3-benzoxazole-4-carboxylate Traditional Name: 1,3-benzoxazole-4-carboxylic acid [2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC(=O)C3=C4C(=CC=C3)OC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC(=O)C3=C4C(=CC=C3)OC=N4

InChI

InChI=1S/C21H20ClN3O4/c1-14-5-6-15(22)11-17(14)24-7-9-25(10-8-24)19(26)12-28-21(27)16-3-2-4-18-20(16)23-13-29-18/h2-6,11,13H,7-10,12H2,1H3