(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-keto-isochroman-3-carboxamide Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2CC3=CC=CC=C3C(=O)O2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)[C@H]2CC3=CC=CC=C3C(=O)O2)OCC

InChI

InChI=1S/C22H25NO5/c1-3-26-18-10-9-15(13-19(18)27-4-2)11-12-23-21(24)20-14-16-7-5-6-8-17(16)22(25)28-20/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,23,24)/t20-/m1/s1