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

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-(2-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)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4

InChI

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