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

Systemtic Name: sodium 3-[[1-(3-methoxypropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: sodium 3-[[1-benzyl-2-(3-methoxypropylamino)-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium 3-[[[1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium 3-[[1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium 3-[[1-benzyl-2-keto-2-(3-methoxypropylamino)ethyl]carbamoyl]oxirane-2-carboxylate Formula: C17H21N2NaO6 MolecularWeight: 372.34821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6.Na/c1-24-9-5-8-18-15(20)12(10-11-6-3-2-4-7-11)19-16(21)13-14(25-13)17(22)23;/h2-4,6-7,12-14H,5,8-10H2,1H3,(H,18,20)(H,19,21)(H,22,23);/q;+1/p-1