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

Systemtic Name: (3R,4R)-3-azaniumyl-4-(2-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxidanylidene-pentanoate Openeye Name: (3R,4R)-3-azaniumyl-4-(2-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-pentanoate CAS Name: (3R,4R)-3-ammonio-4-(2-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoate IUPAC Name: (3R,4R)-3-azaniumyl-4-(2-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoate Traditional Name: (3R,4R)-3-ammonio-4-(2-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-keto-valerate Formula: C25H22ClNO4 MolecularWeight: 435.89948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)C(C4=CC=CC=C4Cl)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)[C@H](C4=CC=CC=C4Cl)[C@@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C25H22ClNO4/c26-21-12-6-5-11-19(21)24(22(27)13-23(28)29)25(30)31-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20,22,24H,13-14,27H2,(H,28,29)/t22-,24-/m1/s1