[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-hexoxybenzoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-hexoxybenzoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C24H31NO4/c1-5-6-7-8-15-28-21-13-11-20(12-14-21)24(27)29-19(4)23(26)25-22-16-17(2)9-10-18(22)3/h9-14,16,19H,5-8,15H2,1-4H3,(H,25,26)