3-methylbutyl 4-[[(3R)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoate

Systemtic Name: 3-methylbutyl 4-[[(3R)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoate Openeye Name: isopentyl 4-[[(3R)-3-methyl-1-oxo-isochromane-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3R)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[(3R)-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3R)-1-keto-3-methyl-isochroman-3-carbonyl]amino]benzoic acid isoamyl ester Formula: C23H25NO5 MolecularWeight: 395.4483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@]2(CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C23H25NO5/c1-15(2)12-13-28-20(25)16-8-10-18(11-9-16)24-22(27)23(3)14-17-6-4-5-7-19(17)21(26)29-23/h4-11,15H,12-14H2,1-3H3,(H,24,27)/t23-/m1/s1