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

Systemtic Name: sodium 3-[[4-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]pentan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: sodium 3-[[1-(4-benzylpiperazine-1-carbonyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium 3-[[[4-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]pentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium 3-[[1-(4-benzylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium 3-[[1-(4-benzylpiperazine-1-carbonyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate Formula: C21H28N3NaO5 MolecularWeight: 425.45389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5.Na/c1-14(2)12-16(22-19(25)17-18(29-17)21(27)28)20(26)24-10-8-23(9-11-24)13-15-6-4-3-5-7-15;/h3-7,14,16-18H,8-13H2,1-2H3,(H,22,25)(H,27,28);/q;+1/p-1