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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(5-chloro-2-methoxy-phenyl)acetate CAS Name: 2-(5-chloro-2-methoxyphenyl)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate Traditional Name: 2-(5-chloro-2-methoxy-phenyl)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H28ClNO4 MolecularWeight: 405.91502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

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