aminocarbonyl 2-butyl-3-[(hexanoylamino)methyl]-3-methyl-oxirane-2-carboxylate

Systemtic Name: aminocarbonyl 2-butyl-3-[(hexanoylamino)methyl]-3-methyl-oxirane-2-carboxylate Openeye Name: carbamoyl 2-butyl-3-[(hexanoylamino)methyl]-3-methyl-oxirane-2-carboxylate CAS Name: 2-butyl-3-methyl-3-[(1-oxohexylamino)methyl]-2-oxiranecarboxylic acid carbamoyl ester IUPAC Name: carbamoyl 2-butyl-3-[(hexanoylamino)methyl]-3-methyloxirane-2-carboxylate Traditional Name: 2-butyl-3-[(caproylamino)methyl]-3-methyl-oxirane-2-carboxylic acid carbamoyl ester Formula: C16H28N2O5 MolecularWeight: 328.40392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NCC1(C(O1)(CCCC)C(=O)OC(=O)N)C

Isomeric SMILES

CCCCCC(=O)NCC1(C(O1)(CCCC)C(=O)OC(=O)N)C

InChI

InChI=1S/C16H28N2O5/c1-4-6-8-9-12(19)18-11-15(3)16(23-15,10-7-5-2)13(20)22-14(17)21/h4-11H2,1-3H3,(H2,17,21)(H,18,19)