[(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropyl)benzoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropyl)benzoate Openeye Name: [(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [(1R)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=C(C=C2)CC(C)C

InChI

InChI=1S/C22H27NO5/c1-14(2)12-16-6-8-17(9-7-16)22(25)28-15(3)21(24)23-18-10-11-19(26-4)20(13-18)27-5/h6-11,13-15H,12H2,1-5H3,(H,23,24)/t15-/m1/s1