sodium 3-[3-methylbutyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-carbamoyl]oxirane-2-carboxylate

Systemtic Name: sodium 3-[3-methylbutyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-carbamoyl]oxirane-2-carboxylate Openeye Name: sodium 3-[[4-[(E)-cinnamyl]piperazine-1-carbonyl]-isopentyl-carbamoyl]oxirane-2-carboxylate CAS Name: sodium 3-[[3-methylbutyl-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium 3-[3-methylbutyl-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium 3-[[4-[(E)-cinnamyl]piperazine-1-carbonyl]-isoamyl-carbamoyl]oxirane-2-carboxylate Formula: C23H30N3NaO5 MolecularWeight: 451.49117

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1C(O1)C(=O)[O-])C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3.[Na+]

Isomeric SMILES

CC(C)CCN(C(=O)C1C(O1)C(=O)[O-])C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C23H31N3O5.Na/c1-17(2)10-12-26(21(27)19-20(31-19)22(28)29)23(30)25-15-13-24(14-16-25)11-6-9-18-7-4-3-5-8-18;/h3-9,17,19-20H,10-16H2,1-2H3,(H,28,29);/q;+1/p-1/b9-6+;