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

Systemtic Name: [2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] naphthalene-2-carboxylate Openeye Name: [2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H25NO3/c1-14-6-5-9-19(15(14)2)22-20(23)13-25-21(24)18-11-10-16-7-3-4-8-17(16)12-18/h3-4,7-8,10-12,14-15,19H,5-6,9,13H2,1-2H3,(H,22,23)/t14-,15-,19+/m1/s1