ethyl 4-[(6-ethyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(6-ethyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(6-ethyl-1-oxo-isochromane-3-carbonyl)amino]benzoate CAS Name: 4-[[(6-ethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-ethyl-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate Traditional Name: 4-[(6-ethyl-1-keto-isochroman-3-carbonyl)amino]benzoic acid ethyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H21NO5/c1-3-13-5-10-17-15(11-13)12-18(27-21(17)25)19(23)22-16-8-6-14(7-9-16)20(24)26-4-2/h5-11,18H,3-4,12H2,1-2H3,(H,22,23)