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

Systemtic Name: ethyl 1-methyl-3-[[1-(3-methylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[1-benzyl-2-(isopentylamino)-2-oxo-ethyl]carbamoyl]-1-methyl-aziridine-2-carboxylate CAS Name: 1-methyl-3-[[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-3-[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[1-benzyl-2-(isoamylamino)-2-keto-ethyl]carbamoyl]-1-methyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC(C)C

Isomeric SMILES

CCOC(=O)C1C(N1C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC(C)C

InChI

InChI=1S/C21H31N3O4/c1-5-28-21(27)18-17(24(18)4)20(26)23-16(13-15-9-7-6-8-10-15)19(25)22-12-11-14(2)3/h6-10,14,16-18H,5,11-13H2,1-4H3,(H,22,25)(H,23,26)