[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methoxybenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-methoxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/c1-24-17-4-2-3-16(8-17)19(23)25-12-18(22)21-20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,21,22)