[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C26H36N2O6 MolecularWeight: 472.57384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O6/c1-16(2)6-7-33-21-5-4-20(11-22(21)32-3)24(30)34-15-23(29)27-25(31)28-26-12-17-8-18(13-26)10-19(9-17)14-26/h4-5,11,16-19H,6-10,12-15H2,1-3H3,(H2,27,28,29,31)