(3R)-N-(1-adamantylmethyl)-N-methyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-(1-adamantylmethyl)-N-methyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-(1-adamantylmethyl)-N-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-(1-adamantylmethyl)-N-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-(1-adamantylmethyl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-(1-adamantylmethyl)-1-keto-N-methyl-isochroman-3-carboxamide Formula: C22H27NO3 MolecularWeight: 353.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)[C@H]4CC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C22H27NO3/c1-23(13-22-10-14-6-15(11-22)8-16(7-14)12-22)20(24)19-9-17-4-2-3-5-18(17)21(25)26-19/h2-5,14-16,19H,6-13H2,1H3/t14?,15?,16?,19-,22?/m1/s1