(Z)-but-2-enedioate; 2-[4-(2-diethylaminoethyl)-2-phenyl-1,3-benzodioxol-2-yl]ethanoate

Systemtic Name: (Z)-but-2-enedioate; 2-[4-(2-diethylaminoethyl)-2-phenyl-1,3-benzodioxol-2-yl]ethanoate Openeye Name: (Z)-but-2-enedioate; 2-[4-(2-diethylaminoethyl)-2-phenyl-1,3-benzodioxol-2-yl]acetate CAS Name: (Z)-2-butenedioate; 2-[4-(2-diethylaminoethyl)-2-phenyl-1,3-benzodioxol-2-yl]acetate IUPAC Name: (Z)-but-2-enedioate; 2-[4-(2-diethylaminoethyl)-2-phenyl-1,3-benzodioxol-2-yl]acetate Traditional Name: 2-[4-(2-diethylaminoethyl)-2-phenyl-1,3-benzodioxol-2-yl]acetate maleate Formula: C25H26NO8-3 MolecularWeight: 468.47584

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C2C(=CC=C1)OC(O2)(CC(=O)[O-])C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCN(CC)CCC1=C2C(=CC=C1)OC(O2)(CC(=O)[O-])C3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C21H25NO4.C4H4O4/c1-3-22(4-2)14-13-16-9-8-12-18-20(16)26-21(25-18,15-19(23)24)17-10-6-5-7-11-17;5-3(6)1-2-4(7)8/h5-12H,3-4,13-15H2,1-2H3,(H,23,24);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1-