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

Systemtic Name: methyl 4-[2-(1-adamantylamino)-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[2-(1-adamantylamino)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-(1-adamantylamino)-2-oxoethoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-adamantylamino)-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-(1-adamantylamino)-2-keto-ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO5/c1-25-18-8-16(20(24)26-2)3-4-17(18)27-12-19(23)22-21-9-13-5-14(10-21)7-15(6-13)11-21/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H,22,23)