ethyl 2-[[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]nonanoate

Systemtic Name: ethyl 2-[[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]nonanoate Openeye Name: ethyl 2-[[1-adamantyloxy-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphoryl]methyl]nonanoate CAS Name: 2-[[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]nonanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]nonanoate Traditional Name: 2-[[1-adamantyloxy-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphoryl]methyl]pelargonic acid ethyl ester Formula: C38H54NO6P MolecularWeight: 651.812221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CP(=O)(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC34CC5CC(C3)CC(C5)C4)C(=O)OCC

Isomeric SMILES

CCCCCCCC(CP(=O)(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC34CC5CC(C3)CC(C5)C4)C(=O)OCC

InChI

InChI=1S/C38H54NO6P/c1-3-5-6-7-14-19-34(36(40)43-4-2)28-46(42,45-38-24-31-20-32(25-38)22-33(21-31)26-38)35(23-29-15-10-8-11-16-29)39-37(41)44-27-30-17-12-9-13-18-30/h8-13,15-18,31-35H,3-7,14,19-28H2,1-2H3,(H,39,41)