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

Systemtic Name: (3S,4R)-3-azaniumyl-4-(4-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxidanylidene-pentanoate Openeye Name: (3S,4R)-3-azaniumyl-4-(4-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-pentanoate CAS Name: (3S,4R)-3-ammonio-4-(4-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoate IUPAC Name: (3S,4R)-3-azaniumyl-4-(4-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoate Traditional Name: (3S,4R)-3-ammonio-4-(4-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=C(C=C4)Cl)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO4/c26-16-11-9-15(10-12-16)24(22(27)13-23(28)29)25(30)31-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22,24H,13-14,27H2,(H,28,29)/t22-,24+/m0/s1