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(3S)-N-(1-adamantyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

(3S)-N-(1-adamantyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name:(3S)-N-(1-adamantyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide
Openeye Name:(3S)-N-(1-adamantyl)-1-oxo-isochromane-3-carboxamide
CAS Name:(3S)-N-(1-adamantyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
IUPAC Name:(3S)-N-(1-adamantyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
Traditional Name:(3S)-N-(1-adamantyl)-1-keto-isochroman-3-carboxamide
Formula: C20H23NO3
MolecularWeight: 325.40152
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4CC5=CC=CC=C5C(=O)O4


Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)NC34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C20H23NO3/c22-18(17-8-15-3-1-2-4-16(15)19(23)24-17)21-20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,12-14,17H,5-11H2,(H,21,22)/t12?,13?,14?,17-,20?/m0/s1


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