[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO3/c1-2-14-3-5-18(6-4-14)20(24)25-13-19(23)22-21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,15-17H,2,7-13H2,1H3,(H,22,23)