[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31NO3/c1-16-6-7-23-21(8-16)25(20-4-2-3-5-22(20)28-23)26(30)31-15-24(29)27-12-17-9-18(13-27)11-19(10-17)14-27/h2-5,16-19H,6-15H2,1H3