3-ethyl-2-[(E)-1-(2,3,4-trimethoxyphenyl)but-1-en-2-yl]quinoline-4-carboxylate

Systemtic Name: 3-ethyl-2-[(E)-1-(2,3,4-trimethoxyphenyl)but-1-en-2-yl]quinoline-4-carboxylate Openeye Name: 3-ethyl-2-[(1E)-1-[(2,3,4-trimethoxyphenyl)methylene]propyl]quinoline-4-carboxylate CAS Name: 3-ethyl-2-[(E)-1-(2,3,4-trimethoxyphenyl)but-1-en-2-yl]-4-quinolinecarboxylate IUPAC Name: 3-ethyl-2-[(E)-1-(2,3,4-trimethoxyphenyl)but-1-en-2-yl]quinoline-4-carboxylate Traditional Name: 3-ethyl-2-[(E)-1-ethyl-2-(2,3,4-trimethoxyphenyl)vinyl]cinchoninate Formula: C25H26NO5- MolecularWeight: 420.47764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N=C1C(=CC3=C(C(=C(C=C3)OC)OC)OC)CC)C(=O)[O-]

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N=C1/C(=C/C3=C(C(=C(C=C3)OC)OC)OC)/CC)C(=O)[O-]

InChI

InChI=1S/C25H27NO5/c1-6-15(14-16-12-13-20(29-3)24(31-5)23(16)30-4)22-17(7-2)21(25(27)28)18-10-8-9-11-19(18)26-22/h8-14H,6-7H2,1-5H3,(H,27,28)/p-1/b15-14+