[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H30N2O3 MolecularWeight: 358.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H30N2O3/c1-4-23-13(2)5-18(14(23)3)20(25)26-12-19(24)22-21-9-15-6-16(10-21)8-17(7-15)11-21/h5,15-17H,4,6-12H2,1-3H3,(H,22,24)