methyl 4-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-benzoate

Systemtic Name: methyl 4-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[2-(1-adamantylmethylamino)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-(1-adamantylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-adamantylmethylamino)-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-(1-adamantylmethylamino)-2-keto-ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5/c1-26-19-8-17(21(25)27-2)3-4-18(19)28-12-20(24)23-13-22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,14-16H,5-7,9-13H2,1-2H3,(H,23,24)