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

Systemtic Name: ethyl 3-[(1-oxidanylidene-3-phenyl-1-piperidin-1-yl-propan-2-yl)carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-oxo-2-(1-piperidyl)ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[oxo-[[1-oxo-3-phenyl-1-(1-piperidinyl)propan-2-yl]amino]methyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[(1-benzyl-2-keto-2-piperidino-ethyl)carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C20H27N3O4/c1-2-27-20(26)17-16(22-17)18(24)21-15(13-14-9-5-3-6-10-14)19(25)23-11-7-4-8-12-23/h3,5-6,9-10,15-17,22H,2,4,7-8,11-13H2,1H3,(H,21,24)