(3S,4R)-3-azaniumyl-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxidanylidene-pentanoate

Systemtic Name: (3S,4R)-3-azaniumyl-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxidanylidene-pentanoate Openeye Name: (3S,4R)-3-azaniumyl-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-pentanoate CAS Name: (3S,4R)-3-ammonio-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoate IUPAC Name: (3S,4R)-3-azaniumyl-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoate Traditional Name: (3S,4R)-3-ammonio-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-keto-valerate Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(C(CC(=O)[O-])[NH3+])C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

C1=CC=C(C(=C1)C#N)[C@H]([C@H](CC(=O)[O-])[NH3+])C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C26H22N2O4/c27-14-16-7-1-2-8-17(16)25(23(28)13-24(29)30)26(31)32-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23,25H,13,15,28H2,(H,29,30)/t23-,25+/m0/s1