[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-(4-chlorophenyl)cyclopropanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopropanecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopropanecarboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC1(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26ClNO3/c23-18-3-1-17(2-4-18)22(5-6-22)20(26)27-13-19(25)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16H,5-13H2,(H,24,25)