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

Systemtic Name: ethyl 2-[[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-naphthalen-2-yl-propanoate Openeye Name: ethyl 2-[[1-adamantyloxy-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphoryl]methyl]-3-(2-naphthyl)propanoate CAS Name: 2-[[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(2-naphthalenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-naphthalen-2-ylpropanoate Traditional Name: 2-[[1-adamantyloxy-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphoryl]methyl]-3-(2-naphthyl)propionic acid ethyl ester Formula: C42H48NO6P MolecularWeight: 693.807381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=CC=CC=C2C=C1)CP(=O)(C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCOC(=O)C(CC1=CC2=CC=CC=C2C=C1)CP(=O)(C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C42H48NO6P/c1-2-47-40(44)38(23-32-17-18-36-15-9-10-16-37(36)22-32)29-50(46,49-42-25-33-19-34(26-42)21-35(20-33)27-42)39(24-30-11-5-3-6-12-30)43-41(45)48-28-31-13-7-4-8-14-31/h3-18,22,33-35,38-39H,2,19-21,23-29H2,1H3,(H,43,45)