[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-methanoyl-2-methoxy-phenoxy)ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-methanoyl-2-methoxy-phenoxy)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(4-formyl-2-methoxy-phenoxy)acetate CAS Name: 2-(4-formyl-2-methoxyphenoxy)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate Traditional Name: 2-(4-formyl-2-methoxy-phenoxy)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H27NO6/c1-27-19-7-14(11-24)2-3-18(19)28-13-21(26)29-12-20(25)23-22-8-15-4-16(9-22)6-17(5-15)10-22/h2-3,7,11,15-17H,4-6,8-10,12-13H2,1H3,(H,23,25)