sodium 3-[[1-(3-ethoxypropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: sodium 3-[[1-(3-ethoxypropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: sodium 3-[[1-benzyl-2-(3-ethoxypropylamino)-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium 3-[[[1-(3-ethoxypropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium 3-[[1-(3-ethoxypropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium 3-[[1-benzyl-2-(3-ethoxypropylamino)-2-keto-ethyl]carbamoyl]oxirane-2-carboxylate Formula: C18H23N2NaO6 MolecularWeight: 386.37479

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)[O-].[Na+]

Isomeric SMILES

CCOCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H24N2O6.Na/c1-2-25-10-6-9-19-16(21)13(11-12-7-4-3-5-8-12)20-17(22)14-15(26-14)18(23)24;/h3-5,7-8,13-15H,2,6,9-11H2,1H3,(H,19,21)(H,20,22)(H,23,24);/q;+1/p-1