3-[4,6-bis(fluoranyl)-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]indol-1-yl]propanoic acid

Systemtic Name: 3-[4,6-bis(fluoranyl)-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]indol-1-yl]propanoic acid Openeye Name: 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4,6-difluoro-indol-1-yl]propanoic acid CAS Name: 3-[3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-4,6-difluoro-1-indolyl]propanoic acid IUPAC Name: 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4,6-difluoroindol-1-yl]propanoic acid Traditional Name: 3-[3-[2-(4-benzoylpiperazino)-2-keto-acetyl]-4,6-difluoro-indol-1-yl]propionic acid Formula: C24H21F2N3O5 MolecularWeight: 469.437446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=CC(=CC(=C43)F)F)CCC(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=CC(=CC(=C43)F)F)CCC(=O)O

InChI

InChI=1S/C24H21F2N3O5/c25-16-12-18(26)21-17(14-29(19(21)13-16)7-6-20(30)31)22(32)24(34)28-10-8-27(9-11-28)23(33)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,30,31)