[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(3-chlorophenyl)carbonylamino]ethanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(3-chlorophenyl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(3-chlorobenzoyl)amino]acetate CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(3-chlorobenzoyl)amino]acetate Traditional Name: 2-[(3-chlorobenzoyl)amino]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4/c22-17-3-1-2-16(7-17)20(26)23-11-19(25)27-12-18(24)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,13-15H,4-6,8-12H2,(H,23,26)