N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide Openeye Name: N-(isochroman-1-ylmethyl)-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide Traditional Name: N-(isochroman-1-ylmethyl)-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=NC2=C(O1)C=C(C=C2)C(=O)NCC3C4=CC=CC=C4CCO3

Isomeric SMILES

COCCC1=NC2=C(O1)C=C(C=C2)C(=O)NCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C21H22N2O4/c1-25-10-9-20-23-17-7-6-15(12-18(17)27-20)21(24)22-13-19-16-5-3-2-4-14(16)8-11-26-19/h2-7,12,19H,8-11,13H2,1H3,(H,22,24)