[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)-3-methoxy-benzoate CAS Name: 4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-methoxy-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OCC(=O)N

InChI

InChI=1S/C22H27NO6/c1-27-18-7-16(2-3-17(18)28-12-20(23)25)21(26)29-11-19(24)22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,13-15H,4-6,8-12H2,1H3,(H2,23,25)