[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-(4-propanoylphenoxy)ethanoate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-(4-propanoylphenoxy)ethanoate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C28H33NO6 MolecularWeight: 479.56472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H33NO6/c1-2-25(30)22-5-7-23(8-6-22)34-18-27(32)35-17-26(31)29(16-24-4-3-9-33-24)28-13-19-10-20(14-28)12-21(11-19)15-28/h3-9,19-21H,2,10-18H2,1H3