ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-[(4-chlorophenyl)methyl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-[(4-chlorophenyl)methyl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-[(4-chlorophenyl)methyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-[(4-chlorophenyl)methyl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-[(4-chlorophenyl)methyl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[(4-chlorobenzyl)-phenylalanyl-carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)N(CC2=CC=C(C=C2)Cl)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)N(CC2=CC=C(C=C2)Cl)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C22H24ClN3O4/c1-2-30-22(29)19-18(25-19)21(28)26(13-15-8-10-16(23)11-9-15)20(27)17(24)12-14-6-4-3-5-7-14/h3-11,17-19,25H,2,12-13,24H2,1H3