[(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-ethylphenyl)propanoate

Systemtic Name: [(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-ethylphenyl)propanoate Openeye Name: [(1R)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(4-ethylphenyl)propanoate CAS Name: 3-(4-ethylphenyl)propanoic acid [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-(4-ethylphenyl)propanoate Traditional Name: 3-(4-ethylphenyl)propionic acid [(1R)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)OC(C)C(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)O[C@H](C)C(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C22H27NO3/c1-5-18-9-11-19(12-10-18)13-14-20(24)26-17(4)22(25)23-21-15(2)7-6-8-16(21)3/h6-12,17H,5,13-14H2,1-4H3,(H,23,25)/t17-/m1/s1