ethyl 3-[[1-oxidanylidene-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[[1-oxidanylidene-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-oxo-2-(4-phenylbutylamino)ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[oxo-[[1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-oxo-3-phenyl-1-(4-phenylbutylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-keto-2-(4-phenylbutylamino)ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4/c1-2-32-25(31)22-21(28-22)24(30)27-20(17-19-14-7-4-8-15-19)23(29)26-16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15,20-22,28H,2,9-10,13,16-17H2,1H3,(H,26,29)(H,27,30)