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

Systemtic Name: ethyl 3-[[1-[1-(aminomethyl)cyclohexyl]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[2-[1-(aminomethyl)cyclohexyl]-1-benzyl-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[[1-[1-(aminomethyl)cyclohexyl]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-[1-(aminomethyl)cyclohexyl]-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[2-[1-(aminomethyl)cyclohexyl]-1-benzyl-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)C3(CCCCC3)CN

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)C3(CCCCC3)CN

InChI

InChI=1S/C22H31N3O4/c1-2-29-21(28)18-17(25-18)20(27)24-16(13-15-9-5-3-6-10-15)19(26)22(14-23)11-7-4-8-12-22/h3,5-6,9-10,16-18,25H,2,4,7-8,11-14,23H2,1H3,(H,24,27)