ethyl 1-[(E)-3-(1-adamantyl)-3-oxidanylidene-prop-1-enyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(E)-3-(1-adamantyl)-3-oxidanylidene-prop-1-enyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(1-adamantyl)-3-oxo-prop-1-enyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(1-adamantyl)-3-oxoprop-1-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(1-adamantyl)-3-oxoprop-1-enyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(1-adamantyl)-3-keto-prop-1-enyl]isonipecotic acid ethyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C=CC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31NO3/c1-2-25-20(24)18-3-6-22(7-4-18)8-5-19(23)21-12-15-9-16(13-21)11-17(10-15)14-21/h5,8,15-18H,2-4,6-7,9-14H2,1H3/b8-5+