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

Systemtic Name: sodium 3-[[1-(3-butoxypropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: sodium 3-[[1-benzyl-2-(3-butoxypropylamino)-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium 3-[[[1-(3-butoxypropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium 3-[[1-(3-butoxypropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium 3-[[1-benzyl-2-(3-butoxypropylamino)-2-keto-ethyl]carbamoyl]oxirane-2-carboxylate Formula: C20H27N2NaO6 MolecularWeight: 414.42795

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O6.Na/c1-2-3-11-27-12-7-10-21-18(23)15(13-14-8-5-4-6-9-14)22-19(24)16-17(28-16)20(25)26;/h4-6,8-9,15-17H,2-3,7,10-13H2,1H3,(H,21,23)(H,22,24)(H,25,26);/q;+1/p-1