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

Systemtic Name: ethyl 3-[[1-oxidanylidene-3-phenyl-1-(3-propan-2-yloxypropylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-(3-isopropoxypropylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[oxo-[[1-oxo-3-phenyl-1-(3-propan-2-yloxypropylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-oxo-3-phenyl-1-(3-propan-2-yloxypropylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-(3-isopropoxypropylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCOC(C)C

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCOC(C)C

InChI

InChI=1S/C21H31N3O5/c1-4-28-21(27)18-17(24-18)20(26)23-16(13-15-9-6-5-7-10-15)19(25)22-11-8-12-29-14(2)3/h5-7,9-10,14,16-18,24H,4,8,11-13H2,1-3H3,(H,22,25)(H,23,26)