ethyl 2-[[[3,5-bis[(2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl)amino]cyclohexyl]amino]methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[[[3,5-bis[(2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl)amino]cyclohexyl]amino]methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[[3,5-bis[(2-ethoxycarbonyl-3-oxo-but-1-enyl)amino]cyclohexyl]amino]methylene]-3-oxo-butanoate CAS Name: 2-[[[3,5-bis[(2-ethoxycarbonyl-3-oxobut-1-enyl)amino]cyclohexyl]amino]methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[[[3,5-bis[(2-ethoxycarbonyl-3-oxobut-1-enyl)amino]cyclohexyl]amino]methylidene]-3-oxobutanoate Traditional Name: 2-acetyl-3-[[3,5-bis[(2-carbethoxy-3-keto-but-1-enyl)amino]cyclohexyl]amino]acrylic acid ethyl ester Formula: C27H39N3O9 MolecularWeight: 549.61326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1CC(CC(C1)NC=C(C(=O)C)C(=O)OCC)NC=C(C(=O)C)C(=O)OCC)C(=O)C

Isomeric SMILES

CCOC(=O)C(=CNC1CC(CC(C1)NC=C(C(=O)C)C(=O)OCC)NC=C(C(=O)C)C(=O)OCC)C(=O)C

InChI

InChI=1S/C27H39N3O9/c1-7-37-25(34)22(16(4)31)13-28-19-10-20(29-14-23(17(5)32)26(35)38-8-2)12-21(11-19)30-15-24(18(6)33)27(36)39-9-3/h13-15,19-21,28-30H,7-12H2,1-6H3