(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (E)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one

Systemtic Name: (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (E)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one Openeye Name: (E)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; (E)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-4-(2,3,4-trimethoxyphenyl)-3-buten-1-one IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; (E)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one Traditional Name: (E)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(2,3,4-trimethoxyphenyl)but-3-en-1-one; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C30H36N2O8 MolecularWeight: 552.61544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CCC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)OC)OC.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C/CC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)OC)OC.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C26H32N2O4.C4H4O4/c1-30-23-15-14-22(25(31-2)26(23)32-3)12-7-13-24(29)28-19-17-27(18-20-28)16-8-11-21-9-5-4-6-10-21;5-3(6)1-2-4(7)8/h4-12,14-15H,13,16-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b11-8+,12-7+;2-1-