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

Systemtic Name: ethyl 3-[[1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-(benzylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[oxo-[[1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-(benzylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-2-29-22(28)19-18(25-19)21(27)24-17(13-15-9-5-3-6-10-15)20(26)23-14-16-11-7-4-8-12-16/h3-12,17-19,25H,2,13-14H2,1H3,(H,23,26)(H,24,27)