ethyl 2-[(E)-N-[[4-(butanoylamino)phenyl]carbonylamino]-C-methyl-carbonimidoyl]-3-methyl-butanoate

Systemtic Name: ethyl 2-[(E)-N-[[4-(butanoylamino)phenyl]carbonylamino]-C-methyl-carbonimidoyl]-3-methyl-butanoate Openeye Name: ethyl 2-[(E)-N-[[4-(butanoylamino)benzoyl]amino]-C-methyl-carbonimidoyl]-3-methyl-butanoate CAS Name: 3-methyl-2-[(1E)-1-[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazinylidene]ethyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(E)-N-[[4-(butanoylamino)benzoyl]amino]-C-methylcarbonimidoyl]-3-methylbutanoate Traditional Name: 2-[(E)-N-[(4-butyramidobenzoyl)amino]-C-methyl-carbonimidoyl]-3-methyl-butyric acid ethyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NN=C(C)C(C(C)C)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)N/N=C(\C)/C(C(C)C)C(=O)OCC

InChI

InChI=1S/C20H29N3O4/c1-6-8-17(24)21-16-11-9-15(10-12-16)19(25)23-22-14(5)18(13(3)4)20(26)27-7-2/h9-13,18H,6-8H2,1-5H3,(H,21,24)(H,23,25)/b22-14+