sodium 3-[[4-methyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-2-yl]carbamoyl]oxirane-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)NC(=O)C3C(O3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)NC(=O)C3C(O3)C(=O)[O-].[Na+]

InChI

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