[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-benzamidoethanoate

Systemtic Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-benzamidoethanoate Openeye Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H26N2O4/c1-13-7-6-10-16(14(13)2)21-17(22)12-25-18(23)11-20-19(24)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,20,24)(H,21,22)/t13-,14+,16-/m0/s1