3-[[1-[2-(4-chlorophenyl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: 3-[[1-[2-(4-chlorophenyl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-benzyl-2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[1-benzyl-2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCC2=CC=C(C=C2)Cl)NC(=O)C3C(N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCCC2=CC=C(C=C2)Cl)NC(=O)C3C(N3)C(=O)O

InChI

InChI=1S/C21H22ClN3O4/c22-15-8-6-13(7-9-15)10-11-23-19(26)16(12-14-4-2-1-3-5-14)24-20(27)17-18(25-17)21(28)29/h1-9,16-18,25H,10-12H2,(H,23,26)(H,24,27)(H,28,29)