[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C28H27NO3/c30-26(28-14-18-10-19(15-28)12-20(11-18)16-28)17-32-27(31)23-13-25(21-6-2-1-3-7-21)29-24-9-5-4-8-22(23)24/h1-9,13,18-20H,10-12,14-17H2