[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H26N2O4/c1-12(24)22-18-4-2-3-15(10-18)21(26)27-11-19(25)23-20-16-6-13-5-14(8-16)9-17(20)7-13/h2-4,10,13-14,16-17,20H,5-9,11H2,1H3,(H,22,24)(H,23,25)