[2-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(N-(2-ethoxy-2-oxo-ethyl)anilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(N-(2-ethoxy-2-keto-ethyl)anilino)-2-keto-ethyl] ester Formula: C26H35N3O6 MolecularWeight: 485.5726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H35N3O6/c1-2-34-24(32)16-29(21-6-4-3-5-7-21)22(30)17-35-23(31)8-9-27-25(33)28-26-13-18-10-19(14-26)12-20(11-18)15-26/h3-7,18-20H,2,8-17H2,1H3,(H2,27,28,33)