[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C23H31NO5/c1-14(23-10-15-4-16(11-23)6-17(5-15)12-23)24-21(25)13-29-22(26)18-7-19(27-2)9-20(8-18)28-3/h7-9,14-17H,4-6,10-13H2,1-3H3,(H,24,25)