[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H33NO5 MolecularWeight: 415.52252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO5/c1-15(2)13-29-20-5-4-19(9-21(20)28-3)23(27)30-14-22(26)25-24-10-16-6-17(11-24)8-18(7-16)12-24/h4-5,9,15-18H,6-8,10-14H2,1-3H3,(H,25,26)