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

Systemtic Name: ethyl 3-[[1-(2-methylpropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-(isobutylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-(isobutylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-4-26-19(25)16-15(22-16)18(24)21-14(17(23)20-11-12(2)3)10-13-8-6-5-7-9-13/h5-9,12,14-16,22H,4,10-11H2,1-3H3,(H,20,23)(H,21,24)