ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3-cyano-3-ethoxycarbonyl-6-[(4-ethoxycarbonylphenyl)amino]hexyl]carbonimidoyl]amino]benzoate

Systemtic Name: ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3-cyano-3-ethoxycarbonyl-6-[(4-ethoxycarbonylphenyl)amino]hexyl]carbonimidoyl]amino]benzoate Openeye Name: ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3-cyano-3-ethoxycarbonyl-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate CAS Name: 4-[[1,7-bis(tert-butylimino)-4-cyano-4-ethoxycarbonyl-7-(4-ethoxycarbonylanilino)heptyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[N-tert-butyl-C-[6-tert-butylimino-3-cyano-3-ethoxycarbonyl-6-(4-ethoxycarbonylanilino)hexyl]carbonimidoyl]amino]benzoate Traditional Name: 4-[[N-tert-butyl-C-[6-tert-butylimino-3-carbethoxy-6-(4-carbethoxyanilino)-3-cyano-hexyl]carbonimidoyl]amino]benzoic acid ethyl ester Formula: C37H51N5O6 MolecularWeight: 661.83074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCC(CCC(=NC(C)(C)C)NC2=CC=C(C=C2)C(=O)OCC)(C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCC(CCC(=NC(C)(C)C)NC2=CC=C(C=C2)C(=O)OCC)(C#N)C(=O)OCC

InChI

InChI=1S/C37H51N5O6/c1-10-46-32(43)26-13-17-28(18-14-26)39-30(41-35(4,5)6)21-23-37(25-38,34(45)48-12-3)24-22-31(42-36(7,8)9)40-29-19-15-27(16-20-29)33(44)47-11-2/h13-20H,10-12,21-24H2,1-9H3,(H,39,41)(H,40,42)