[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4CC5=C(C=CC(=C5)Cl)OC4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4CC5=C(C=CC(=C5)Cl)OC4

InChI

InChI=1S/C22H26ClNO4/c23-18-1-2-19-16(7-18)6-17(11-27-19)21(26)28-12-20(25)24-22-8-13-3-14(9-22)5-15(4-13)10-22/h1-2,7,13-15,17H,3-6,8-12H2,(H,24,25)