[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 4-isopropoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-propan-2-yloxybenzoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxy-3-methoxy-benzoic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C25H35NO5 MolecularWeight: 429.5491

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C25H35NO5/c1-15(2)31-21-6-5-20(10-22(21)29-4)24(28)30-14-23(27)26-16(3)25-11-17-7-18(12-25)9-19(8-17)13-25/h5-6,10,15-19H,7-9,11-14H2,1-4H3,(H,26,27)