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

Systemtic Name: ethyl 3-[[1-oxidanylidene-1-(phenethylamino)propan-2-yl]-phenyl-carbamoyl]-1-(phenylmethyl)aziridine-2-carboxylate Openeye Name: ethyl 1-benzyl-3-[[1-methyl-2-oxo-2-(phenethylamino)ethyl]-phenyl-carbamoyl]aziridine-2-carboxylate CAS Name: 3-[oxo-(N-[1-oxo-1-(phenethylamino)propan-2-yl]anilino)methyl]-1-(phenylmethyl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[[1-oxo-1-(phenethylamino)propan-2-yl]-phenylcarbamoyl]aziridine-2-carboxylate Traditional Name: 1-benzyl-3-[[2-keto-1-methyl-2-(phenethylamino)ethyl]-phenyl-carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1CC2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(C)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C(N1CC2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(C)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O4/c1-3-37-30(36)27-26(32(27)21-24-15-9-5-10-16-24)29(35)33(25-17-11-6-12-18-25)22(2)28(34)31-20-19-23-13-7-4-8-14-23/h4-18,22,26-27H,3,19-21H2,1-2H3,(H,31,34)