[1-[(2,3-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-phenoxybutanoate

Systemtic Name: [1-[(2,3-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-phenoxybutanoate Openeye Name: [2-(2,3-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-(2,3-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C)OC(=O)CCCOC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C)OC(=O)CCCOC2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO4/c1-15-9-7-12-19(16(15)2)22-21(24)17(3)26-20(23)13-8-14-25-18-10-5-4-6-11-18/h4-7,9-12,17H,8,13-14H2,1-3H3,(H,22,24)