[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] adamantane-2-carboxylate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H29NO3/c1-14(22(25)24-8-4-6-17-5-2-3-7-20(17)24)27-23(26)21-18-10-15-9-16(12-18)13-19(21)11-15/h2-3,5,7,14-16,18-19,21H,4,6,8-13H2,1H3