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

Systemtic Name: ethyl 3-[[1-(cyclohexylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-(cyclohexylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-(cyclohexylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H29N3O4/c1-2-28-21(27)18-17(24-18)20(26)23-16(13-14-9-5-3-6-10-14)19(25)22-15-11-7-4-8-12-15/h3,5-6,9-10,15-18,24H,2,4,7-8,11-13H2,1H3,(H,22,25)(H,23,26)