N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(6-methylpyridin-3-yl)oxymethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(6-methylpyridin-3-yl)oxymethyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[[(1S)-isochroman-1-yl]methyl]-5-[(6-methyl-3-pyridyl)oxymethyl]isoxazole-3-carboxamide CAS Name: N-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-3-isoxazolecarboxamide IUPAC Name: N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(6-methylpyridin-3-yl)oxymethyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[[(1S)-isochroman-1-yl]methyl]-5-[(6-methyl-3-pyridyl)oxymethyl]isoxazole-3-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)OCC2=CC(=NO2)C(=O)NCC3C4=CC=CC=C4CCO3

Isomeric SMILES

CC1=NC=C(C=C1)OCC2=CC(=NO2)C(=O)NC[C@@H]3C4=CC=CC=C4CCO3

InChI

InChI=1S/C21H21N3O4/c1-14-6-7-16(11-22-14)27-13-17-10-19(24-28-17)21(25)23-12-20-18-5-3-2-4-15(18)8-9-26-20/h2-7,10-11,20H,8-9,12-13H2,1H3,(H,23,25)/t20-/m1/s1