[(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropoxy)benzoate

Systemtic Name: [(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropoxy)benzoate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C22H27NO5/c1-14(2)13-27-18-8-6-7-17(12-18)22(25)28-16(4)21(24)23-19-11-15(3)9-10-20(19)26-5/h6-12,14,16H,13H2,1-5H3,(H,23,24)/t16-/m0/s1