[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenoxymethyl)benzoate

Systemtic Name: [(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(phenoxymethyl)benzoate Openeye Name: [(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-(phenoxymethyl)benzoate CAS Name: 4-(phenoxymethyl)benzoic acid [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(phenoxymethyl)benzoate Traditional Name: 4-(phenoxymethyl)benzoic acid [(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C25H25NO4/c1-17-8-7-9-18(2)23(17)26-24(27)19(3)30-25(28)21-14-12-20(13-15-21)16-29-22-10-5-4-6-11-22/h4-15,19H,16H2,1-3H3,(H,26,27)/t19-/m0/s1