benzene; tert-butyl 4-(2-chloranylethanoyl)-3-[oxidanyl(phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: benzene; tert-butyl 4-(2-chloranylethanoyl)-3-[oxidanyl(phenyl)methyl]piperazine-1-carboxylate Openeye Name: benzene; tert-butyl 4-(2-chloroacetyl)-3-[hydroxy(phenyl)methyl]piperazine-1-carboxylate CAS Name: benzene; 4-(2-chloro-1-oxoethyl)-3-[hydroxy(phenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: benzene; tert-butyl 4-(2-chloroacetyl)-3-[hydroxy(phenyl)methyl]piperazine-1-carboxylate Traditional Name: benzene; 4-(2-chloroacetyl)-3-[hydroxy(phenyl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H31ClN2O4 MolecularWeight: 446.96694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(C2=CC=CC=C2)O)C(=O)CCl.C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(C2=CC=CC=C2)O)C(=O)CCl.C1=CC=CC=C1

InChI

InChI=1S/C18H25ClN2O4.C6H6/c1-18(2,3)25-17(24)20-9-10-21(15(22)11-19)14(12-20)16(23)13-7-5-4-6-8-13;1-2-4-6-5-3-1/h4-8,14,16,23H,9-12H2,1-3H3;1-6H