2-[2-(butoxycarbonylamino)-1-phenyl-ethyl]-5-fluoranyl-1H-indole-3-carboxylic acid

Systemtic Name: 2-[2-(butoxycarbonylamino)-1-phenyl-ethyl]-5-fluoranyl-1H-indole-3-carboxylic acid Openeye Name: 2-[2-(butoxycarbonylamino)-1-phenyl-ethyl]-5-fluoro-1H-indole-3-carboxylic acid CAS Name: 2-[2-[[butoxy(oxo)methyl]amino]-1-phenylethyl]-5-fluoro-1H-indole-3-carboxylic acid IUPAC Name: 2-[2-(butoxycarbonylamino)-1-phenylethyl]-5-fluoro-1H-indole-3-carboxylic acid Traditional Name: 2-[2-(butoxycarbonylamino)-1-phenyl-ethyl]-5-fluoro-1H-indole-3-carboxylic acid Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NCC(C1=CC=CC=C1)C2=C(C3=C(N2)C=CC(=C3)F)C(=O)O

Isomeric SMILES

CCCCOC(=O)NCC(C1=CC=CC=C1)C2=C(C3=C(N2)C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C22H23FN2O4/c1-2-3-11-29-22(28)24-13-17(14-7-5-4-6-8-14)20-19(21(26)27)16-12-15(23)9-10-18(16)25-20/h4-10,12,17,25H,2-3,11,13H2,1H3,(H,24,28)(H,26,27)