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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(4-chloro-3-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-3-methylphenoxy)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate Traditional Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C22H28ClNO4/c1-14-4-18(2-3-19(14)23)27-12-21(26)28-11-20(25)24-13-22-8-15-5-16(9-22)7-17(6-15)10-22/h2-4,15-17H,5-13H2,1H3,(H,24,25)