[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H26ClNO5 MolecularWeight: 407.88784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)Cl)OC

InChI

InChI=1S/C21H26ClNO5/c1-26-17-7-15(6-16(22)19(17)27-2)20(25)28-11-18(24)23-21-8-12-3-13(9-21)5-14(4-12)10-21/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,23,24)