[3-octadecoxy-5-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]phenyl] adamantane-1-carboxylate

Systemtic Name: [3-octadecoxy-5-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]phenyl] adamantane-1-carboxylate Openeye Name: [3-[(2-benzyloxy-2-oxo-ethyl)amino]-5-octadecoxy-phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [3-octadecoxy-5-[(2-oxo-2-phenylmethoxyethyl)amino]phenyl] ester IUPAC Name: [3-octadecoxy-5-[(2-oxo-2-phenylmethoxyethyl)amino]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [3-[(2-benzoxy-2-keto-ethyl)amino]-5-stearyloxy-phenyl] ester Formula: C44H65NO5 MolecularWeight: 687.9906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)NCC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)NCC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C44H65NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-48-40-27-39(45-33-42(46)49-34-35-21-18-17-19-22-35)28-41(29-40)50-43(47)44-30-36-24-37(31-44)26-38(25-36)32-44/h17-19,21-22,27-29,36-38,45H,2-16,20,23-26,30-34H2,1H3