9H-fluoren-9-ylmethyl 2-[1-adamantyloxy-[3-oxidanylidene-3-phenacyloxy-2-(phenylmethyl)propyl]phosphoryl]azepane-1-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 2-[1-adamantyloxy-[3-oxidanylidene-3-phenacyloxy-2-(phenylmethyl)propyl]phosphoryl]azepane-1-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 2-[1-adamantyloxy-(2-benzyl-3-oxo-3-phenacyloxy-propyl)phosphoryl]azepane-1-carboxylate CAS Name: 2-[1-adamantyloxy-[3-oxo-3-phenacyloxy-2-(phenylmethyl)propyl]phosphoryl]-1-azepanecarboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 2-[1-adamantyloxy-(2-benzyl-3-oxo-3-phenacyloxypropyl)phosphoryl]azepane-1-carboxylate Traditional Name: 2-[1-adamantyloxy-(2-benzyl-3-keto-3-phenacyloxy-propyl)phosphoryl]azepane-1-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C49H54NO7P MolecularWeight: 799.929321

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)P(=O)(CC(CC5=CC=CC=C5)C(=O)OCC(=O)C6=CC=CC=C6)OC78CC9CC(C7)CC(C9)C8

Isomeric SMILES

C1CCC(N(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)P(=O)(CC(CC5=CC=CC=C5)C(=O)OCC(=O)C6=CC=CC=C6)OC78CC9CC(C7)CC(C9)C8

InChI

InChI=1S/C49H54NO7P/c51-45(38-16-6-2-7-17-38)32-55-47(52)39(27-34-14-4-1-5-15-34)33-58(54,57-49-28-35-24-36(29-49)26-37(25-35)30-49)46-22-8-3-13-23-50(46)48(53)56-31-44-42-20-11-9-18-40(42)41-19-10-12-21-43(41)44/h1-2,4-7,9-12,14-21,35-37,39,44,46H,3,8,13,22-33H2