2-[4-[(1-adamantylazaniumyl)methyl]-5-chloranyl-2-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[(1-adamantylazaniumyl)methyl]-5-chloranyl-2-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(1-adamantylammonio)methyl]-5-chloro-2-methoxy-phenoxy]acetate CAS Name: 2-[4-[(1-adamantylammonio)methyl]-5-chloro-2-methoxyphenoxy]acetate IUPAC Name: 2-[4-[(1-adamantylazaniumyl)methyl]-5-chloro-2-methoxyphenoxy]acetate Traditional Name: 2-[4-[(1-adamantylammonio)methyl]-5-chloro-2-methoxy-phenoxy]acetate Formula: C20H26ClNO4 MolecularWeight: 379.87774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Cl)OCC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Cl)OCC(=O)[O-]

InChI

InChI=1S/C20H26ClNO4/c1-25-17-5-15(16(21)6-18(17)26-11-19(23)24)10-22-20-7-12-2-13(8-20)4-14(3-12)9-20/h5-6,12-14,22H,2-4,7-11H2,1H3,(H,23,24)