[(5S,7R)-3-(phenylmethoxycarbonylamino)-1-adamantyl] N-(4-methoxyphenyl)carbamate

Systemtic Name: [(5S,7R)-3-(phenylmethoxycarbonylamino)-1-adamantyl] N-(4-methoxyphenyl)carbamate Openeye Name: [(5S,7R)-3-(benzyloxycarbonylamino)-1-adamantyl] N-(4-methoxyphenyl)carbamate CAS Name: N-[(5S,7R)-3-[(4-methoxyanilino)-oxomethoxy]-1-adamantyl]carbamic acid (phenylmethyl) ester IUPAC Name: [(5S,7R)-3-(phenylmethoxycarbonylamino)-1-adamantyl] N-(4-methoxyphenyl)carbamate Traditional Name: N-(4-methoxyphenyl)carbamic acid [(5S,7R)-3-(benzyloxycarbonylamino)-1-adamantyl] ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)OC23CC4CC(C2)CC(C4)(C3)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)OC23C[C@@H]4C[C@H](C2)CC(C4)(C3)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H30N2O5/c1-31-22-9-7-21(8-10-22)27-23(29)33-26-14-19-11-20(15-26)13-25(12-19,17-26)28-24(30)32-16-18-5-3-2-4-6-18/h2-10,19-20H,11-17H2,1H3,(H,27,29)(H,28,30)/t19-,20+,25?,26?