[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]acetate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate Traditional Name: 2-[(4-chlorobenzoyl)amino]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CNC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CNC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN2O4/c22-17-3-1-16(2-4-17)20(27)23-11-19(26)28-12-18(25)24-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15H,5-12H2,(H,23,27)(H,24,25)