[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)-2-methyl-propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(4-chlorophenoxy)-2-methyl-propanoate CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H30ClNO4 MolecularWeight: 419.9416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H30ClNO4/c1-22(2,29-19-5-3-18(24)4-6-19)21(27)28-13-20(26)25-14-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17H,7-14H2,1-2H3,(H,25,26)