N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-keto-isochroman-3-carboxamide Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)C2CC3=CC=CC=C3C(=O)O2)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNC(=O)C2CC3=CC=CC=C3C(=O)O2)N(C)C

InChI

InChI=1S/C22H26N2O3/c1-4-15-9-11-16(12-10-15)19(24(2)3)14-23-21(25)20-13-17-7-5-6-8-18(17)22(26)27-20/h5-12,19-20H,4,13-14H2,1-3H3,(H,23,25)