ethyl 3-[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoate

Systemtic Name: ethyl 3-[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoate Openeye Name: ethyl 3-[1-adamantyloxy-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphoryl]propanoate CAS Name: 3-[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoate Traditional Name: 3-[1-adamantyloxy-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphoryl]propionic acid ethyl ester Formula: C31H40NO6P MolecularWeight: 553.626161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCP(=O)(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)CCP(=O)(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H40NO6P/c1-2-36-29(33)13-14-39(35,38-31-19-25-15-26(20-31)17-27(16-25)21-31)28(18-23-9-5-3-6-10-23)32-30(34)37-22-24-11-7-4-8-12-24/h3-12,25-28H,2,13-22H2,1H3,(H,32,34)