[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-aminocarbonylbenzoate

Systemtic Name: [1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-aminocarbonylbenzoate Openeye Name: [2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-carbamoylbenzoate CAS Name: 4-carbamoylbenzoic acid [1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylamino)-1-oxopropan-2-yl] 4-carbamoylbenzoate Traditional Name: 4-carbamoylbenzoic acid [2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)C(=O)N

InChI

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