[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[(3,5-dimethylisoxazol-4-yl)methoxy]naphthalene-2-carboxylate CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methoxy]-2-naphthalenecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxylate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methoxy]naphthalene-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC3=CC=CC=C3C=C2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC3=CC=CC=C3C=C2C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C22H21N3O5/c1-14-19(15(2)30-25-14)12-28-20-11-17-7-4-3-6-16(17)10-18(20)22(27)29-13-21(26)24-9-5-8-23/h3-4,6-7,10-11H,5,9,12-13H2,1-2H3,(H,24,26)