sodium 1-methyl-3-[[1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: sodium 1-methyl-3-[[1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: sodium 3-[[1-benzyl-2-(1-naphthylmethylamino)-2-oxo-ethyl]carbamoyl]-1-methyl-aziridine-2-carboxylate CAS Name: sodium 1-methyl-3-[[[1-(1-naphthalenylmethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylate IUPAC Name: sodium 1-methyl-3-[[1-(naphthalen-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: sodium 3-[[1-benzyl-2-keto-2-(1-naphthylmethylamino)ethyl]carbamoyl]-1-methyl-ethylenimine-2-carboxylate Formula: C25H24N3NaO4 MolecularWeight: 453.46553

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C1C(=O)[O-])C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC4=CC=CC=C43.[Na+]

Isomeric SMILES

CN1C(C1C(=O)[O-])C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC4=CC=CC=C43.[Na+]

InChI

InChI=1S/C25H25N3O4.Na/c1-28-21(22(28)25(31)32)24(30)27-20(14-16-8-3-2-4-9-16)23(29)26-15-18-12-7-11-17-10-5-6-13-19(17)18;/h2-13,20-22H,14-15H2,1H3,(H,26,29)(H,27,30)(H,31,32);/q;+1/p-1