[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(4-chloro-3-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-3-methylphenoxy)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate Traditional Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)Cl

InChI

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