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

Systemtic Name: ethyl 3-[(1-oxidanylidene-3-phenyl-1-phenylazanyl-propan-2-yl)carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-anilino-1-benzyl-2-oxo-ethyl)carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(1-anilino-1-oxo-3-phenylpropan-2-yl)carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[(2-anilino-1-benzyl-2-keto-ethyl)carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/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/h3-12,16-18,24H,2,13H2,1H3,(H,22,25)(H,23,26)