[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(5-chloro-2-methoxy-phenyl)acetate CAS Name: 2-(5-chloro-2-methoxyphenyl)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate Traditional Name: 2-(5-chloro-2-methoxy-phenyl)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO4/c1-26-18-3-2-17(22)7-16(18)8-20(25)27-12-19(24)23-21-9-13-4-14(10-21)6-15(5-13)11-21/h2-3,7,13-15H,4-6,8-12H2,1H3,(H,23,24)