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

Systemtic Name: ethyl 3-[[1-(hexylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-(hexylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[[1-(hexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(hexylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-(hexylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2)C(=O)OCC

Isomeric SMILES

CCCCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2)C(=O)OCC

InChI

InChI=1S/C21H31N3O4/c1-3-5-6-10-13-22-19(25)16(14-15-11-8-7-9-12-15)23-20(26)17-18(24-17)21(27)28-4-2/h7-9,11-12,16-18,24H,3-6,10,13-14H2,1-2H3,(H,22,25)(H,23,26)