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

Systemtic Name: ethyl 3-[[1-(furan-2-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-1-methyl-aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]-1-methyl-aziridine-2-carboxylate CAS Name: 3-[[[1-(2-furanylmethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-methyl-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1-methylaziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-(2-furfurylamino)-2-keto-ethyl]carbamoyl]-1-methyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1C(N1C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H25N3O5/c1-3-28-21(27)18-17(24(18)2)20(26)23-16(12-14-8-5-4-6-9-14)19(25)22-13-15-10-7-11-29-15/h4-11,16-18H,3,12-13H2,1-2H3,(H,22,25)(H,23,26)