ethyl 3-[[(2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoyl]amino]-5-fluoranyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[[(2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoyl]amino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[(2S)-2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-1-oxopropyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)propanoyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[(2S)-2-(4-carbethoxypiperazin-1-ium-1-yl)propanoyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C21H28FN4O5+ MolecularWeight: 435.469223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)[C@H](C)[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H27FN4O5/c1-4-30-20(28)18-17(15-12-14(22)6-7-16(15)23-18)24-19(27)13(3)25-8-10-26(11-9-25)21(29)31-5-2/h6-7,12-13,23H,4-5,8-11H2,1-3H3,(H,24,27)/p+1/t13-/m0/s1