ethyl (E)-3-[[3,4-bis(1-chloranylpropyl)phenyl]methoxycarbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[3,4-bis(1-chloranylpropyl)phenyl]methoxycarbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[3,4-bis(1-chloropropyl)phenyl]methoxycarbonylamino]but-2-enoate CAS Name: (E)-3-[[[3,4-bis(1-chloropropyl)phenyl]methoxy-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[3,4-bis(1-chloropropyl)phenyl]methoxycarbonylamino]but-2-enoate Traditional Name: (E)-3-[[3,4-bis(1-chloropropyl)benzyl]oxycarbonylamino]but-2-enoic acid ethyl ester Formula: C20H27Cl2NO4 MolecularWeight: 416.33868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C=C1)COC(=O)NC(=CC(=O)OCC)C)C(CC)Cl)Cl

Isomeric SMILES

CCC(C1=C(C=C(C=C1)COC(=O)N/C(=C/C(=O)OCC)/C)C(CC)Cl)Cl

InChI

InChI=1S/C20H27Cl2NO4/c1-5-17(21)15-9-8-14(11-16(15)18(22)6-2)12-27-20(25)23-13(4)10-19(24)26-7-3/h8-11,17-18H,5-7,12H2,1-4H3,(H,23,25)/b13-10+