3-[[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)hexan-3-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: 3-[[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)hexan-3-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: 3-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]butylcarbamoyl]oxirane-2-carboxylate CAS Name: 3-[oxo-[[1-oxo-1-(4-phenyl-1-piperazinyl)hexan-3-yl]amino]methyl]-2-oxiranecarboxylate IUPAC Name: 3-[[1-oxo-1-(4-phenylpiperazin-1-yl)hexan-3-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: 3-[1-[2-keto-2-(4-phenylpiperazino)ethyl]butylcarbamoyl]oxirane-2-carboxylate Formula: C20H26N3O5- MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3C(O3)C(=O)[O-]

Isomeric SMILES

CCCC(CC(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3C(O3)C(=O)[O-]

InChI

InChI=1S/C20H27N3O5/c1-2-6-14(21-19(25)17-18(28-17)20(26)27)13-16(24)23-11-9-22(10-12-23)15-7-4-3-5-8-15/h3-5,7-8,14,17-18H,2,6,9-13H2,1H3,(H,21,25)(H,26,27)/p-1