[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C23H26N2O4/c26-20-8-19(25-18-4-2-1-3-17(18)20)22(28)29-12-21(27)24-13-23-9-14-5-15(10-23)7-16(6-14)11-23/h1-4,8,14-16H,5-7,9-13H2,(H,24,27)(H,25,26)