methyl 1-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(1-oxoisochromane-3-carbonyl)amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[(1-ketoisochroman-3-carbonyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C18H21NO5/c1-23-17(22)18(9-5-2-6-10-18)19-15(20)14-11-12-7-3-4-8-13(12)16(21)24-14/h3-4,7-8,14H,2,5-6,9-11H2,1H3,(H,19,20)