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

Systemtic Name: 3-[[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-hexan-3-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: 3-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]butylcarbamoyl]oxirane-2-carboxylate CAS Name: 3-[[[1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-oxohexan-3-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: 3-[[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxohexan-3-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: 3-[1-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]butylcarbamoyl]oxirane-2-carboxylate Formula: C21H28N3O6- MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6/c1-3-4-14(22-20(26)18-19(30-18)21(27)28)13-17(25)24-11-9-23(10-12-24)15-5-7-16(29-2)8-6-15/h5-8,14,18-19H,3-4,9-13H2,1-2H3,(H,22,26)(H,27,28)/p-1