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

Systemtic Name: sodium 3-[[1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1-prop-2-enyl-aziridine-2-carboxylate Openeye Name: sodium 1-allyl-3-[[1-benzyl-2-(1-naphthylmethylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: sodium 3-[[[1-(1-naphthalenylmethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-prop-2-enyl-2-aziridinecarboxylate IUPAC Name: sodium 3-[[1-(naphthalen-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1-prop-2-enylaziridine-2-carboxylate Traditional Name: sodium 1-allyl-3-[[1-benzyl-2-keto-2-(1-naphthylmethylamino)ethyl]carbamoyl]ethylenimine-2-carboxylate Formula: C27H26N3NaO4 MolecularWeight: 479.50281

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(C1C(=O)[O-])C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC4=CC=CC=C43.[Na+]

Isomeric SMILES

C=CCN1C(C1C(=O)[O-])C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC4=CC=CC=C43.[Na+]

InChI

InChI=1S/C27H27N3O4.Na/c1-2-15-30-23(24(30)27(33)34)26(32)29-22(16-18-9-4-3-5-10-18)25(31)28-17-20-13-8-12-19-11-6-7-14-21(19)20;/h2-14,22-24H,1,15-17H2,(H,28,31)(H,29,32)(H,33,34);/q;+1/p-1