[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-benzoate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxybenzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)OCC(=O)NCCC(C)C)OC

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)C(=O)OCC(=O)NCCC(C)C)OC

InChI

InChI=1S/C21H28N2O6/c1-13(2)8-9-22-20(24)12-28-21(25)16-6-7-18(19(10-16)26-5)27-11-17-14(3)23-29-15(17)4/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,22,24)