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

Systemtic Name: ethyl 3-[[1-(1-adamantylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[2-(1-adamantylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[[1-(1-adamantylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(1-adamantylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[2-(1-adamantylamino)-1-benzyl-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O4/c1-2-32-24(31)21-20(27-21)23(30)26-19(11-15-6-4-3-5-7-15)22(29)28-25-12-16-8-17(13-25)10-18(9-16)14-25/h3-7,16-21,27H,2,8-14H2,1H3,(H,26,30)(H,28,29)