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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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