[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C21H27NO5/c1-26-16-2-3-17(18(23)7-16)20(25)27-11-19(24)22-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,13-15,23H,4-6,8-12H2,1H3,(H,22,24)