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

Systemtic Name: cyclohexyl 4-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzoate Openeye Name: cyclohexyl 4-[(1-oxoisochromane-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoate Traditional Name: 4-[(1-ketoisochroman-3-carbonyl)amino]benzoic acid cyclohexyl ester Formula: C23H23NO5 MolecularWeight: 393.43242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H23NO5/c25-21(20-14-16-6-4-5-9-19(16)23(27)29-20)24-17-12-10-15(11-13-17)22(26)28-18-7-2-1-3-8-18/h4-6,9-13,18,20H,1-3,7-8,14H2,(H,24,25)