ethyl 5-fluoranyl-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C26H30FN4O3+ MolecularWeight: 465.539803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H29FN4O3/c1-2-34-26(33)25-24(21-17-20(27)10-11-22(21)28-25)29-23(32)18-31-15-13-30(14-16-31)12-6-9-19-7-4-3-5-8-19/h3-11,17,28H,2,12-16,18H2,1H3,(H,29,32)/p+1/b9-6+