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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C21H27NO4/c1-13-2-3-17(18(23)4-13)20(25)26-11-19(24)22-12-21-8-14-5-15(9-21)7-16(6-14)10-21/h2-4,14-16,23H,5-12H2,1H3,(H,22,24)