[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C26H37N3O6 MolecularWeight: 487.58848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)OCC

InChI

InChI=1S/C26H37N3O6/c1-3-33-21-6-5-20(12-22(21)34-4-2)28-23(30)16-35-24(31)7-8-27-25(32)29-26-13-17-9-18(14-26)11-19(10-17)15-26/h5-6,12,17-19H,3-4,7-11,13-16H2,1-2H3,(H,28,30)(H2,27,29,32)