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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=NNC(=O)C1=CC=C(C=C1)NC(=O)CCC)C)C(=O)OCC

Isomeric SMILES

CCCC(/C(=N/NC(=O)C1=CC=C(C=C1)NC(=O)CCC)/C)C(=O)OCC

InChI

InChI=1S/C20H29N3O4/c1-5-8-17(20(26)27-7-3)14(4)22-23-19(25)15-10-12-16(13-11-15)21-18(24)9-6-2/h10-13,17H,5-9H2,1-4H3,(H,21,24)(H,23,25)/b22-14+