[2-(1-adamantyl)-2-oxidanylidene-ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate CAS Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate Traditional Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)OCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31NO3/c29-24(27-13-17-10-18(14-27)12-19(11-17)15-27)16-31-26(30)25-20-6-2-1-3-8-22(20)28-23-9-5-4-7-21(23)25/h4-5,7,9,17-19H,1-3,6,8,10-16H2