ethyl 2-[[1-adamantyloxy(phenylmethoxycarbonylaminomethyl)phosphoryl]methyl]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[[1-adamantyloxy(phenylmethoxycarbonylaminomethyl)phosphoryl]methyl]-4-methyl-pentanoate Openeye Name: ethyl 2-[[1-adamantyloxy(benzyloxycarbonylaminomethyl)phosphoryl]methyl]-4-methyl-pentanoate CAS Name: 2-[[1-adamantyloxy(phenylmethoxycarbonylaminomethyl)phosphoryl]methyl]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantyloxy(phenylmethoxycarbonylaminomethyl)phosphoryl]methyl]-4-methylpentanoate Traditional Name: 2-[[1-adamantyloxy(benzyloxycarbonylaminomethyl)phosphoryl]methyl]-4-methyl-valeric acid ethyl ester Formula: C28H42NO6P MolecularWeight: 519.609941

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)CP(=O)(CNC(=O)OCC1=CC=CC=C1)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C(CC(C)C)CP(=O)(CNC(=O)OCC1=CC=CC=C1)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C28H42NO6P/c1-4-33-26(30)25(10-20(2)3)18-36(32,19-29-27(31)34-17-21-8-6-5-7-9-21)35-28-14-22-11-23(15-28)13-24(12-22)16-28/h5-9,20,22-25H,4,10-19H2,1-3H3,(H,29,31)