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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]acetate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate Traditional Name: 2-[(4-chlorobenzoyl)amino]acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4/c23-18-3-1-17(2-4-18)21(28)24-11-20(27)29-12-19(26)25-13-22-8-14-5-15(9-22)7-16(6-14)10-22/h1-4,14-16H,5-13H2,(H,24,28)(H,25,26)