butyl 2-aminocarbonyl-3-methyl-3-(4-phenylpiperazin-1-yl)carbonyl-oxirane-2-carboxylate

Systemtic Name: butyl 2-aminocarbonyl-3-methyl-3-(4-phenylpiperazin-1-yl)carbonyl-oxirane-2-carboxylate Openeye Name: butyl 2-carbamoyl-3-methyl-3-(4-phenylpiperazine-1-carbonyl)oxirane-2-carboxylate CAS Name: 2-carbamoyl-3-methyl-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-oxiranecarboxylic acid butyl ester IUPAC Name: butyl 2-carbamoyl-3-methyl-3-(4-phenylpiperazine-1-carbonyl)oxirane-2-carboxylate Traditional Name: 2-carbamoyl-3-methyl-3-(4-phenylpiperazine-1-carbonyl)oxirane-2-carboxylic acid butyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(C(O1)(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCCCOC(=O)C1(C(O1)(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H27N3O5/c1-3-4-14-27-18(26)20(16(21)24)19(2,28-20)17(25)23-12-10-22(11-13-23)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3,(H2,21,24)