3,7-dimethyloctyl 4-oxidanyl-3-(3-oxidanylidenebutanoylamino)benzoate

Systemtic Name: 3,7-dimethyloctyl 4-oxidanyl-3-(3-oxidanylidenebutanoylamino)benzoate Openeye Name: 3,7-dimethyloctyl 4-hydroxy-3-(3-oxobutanoylamino)benzoate CAS Name: 3-(1,3-dioxobutylamino)-4-hydroxybenzoic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl 4-hydroxy-3-(3-oxobutanoylamino)benzoate Traditional Name: 3-(acetoacetylamino)-4-hydroxy-benzoic acid 3,7-dimethyloctyl ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCOC(=O)C1=CC(=C(C=C1)O)NC(=O)CC(=O)C

Isomeric SMILES

CC(C)CCCC(C)CCOC(=O)C1=CC(=C(C=C1)O)NC(=O)CC(=O)C

InChI

InChI=1S/C21H31NO5/c1-14(2)6-5-7-15(3)10-11-27-21(26)17-8-9-19(24)18(13-17)22-20(25)12-16(4)23/h8-9,13-15,24H,5-7,10-12H2,1-4H3,(H,22,25)