(5,6-dimethoxy-3-phenyl-3,4-dihydro-1H-isochromen-1-yl)methanamine; methanoic acid

Systemtic Name: (5,6-dimethoxy-3-phenyl-3,4-dihydro-1H-isochromen-1-yl)methanamine; methanoic acid Openeye Name: (5,6-dimethoxy-3-phenyl-isochroman-1-yl)methanamine; formic acid CAS Name: (5,6-dimethoxy-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-yl)methanamine; formic acid IUPAC Name: (5,6-dimethoxy-3-phenyl-3,4-dihydro-1H-isochromen-1-yl)methanamine; formic acid Traditional Name: (5,6-dimethoxy-3-phenyl-isochroman-1-yl)methylamine; formic acid Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC(C2)C3=CC=CC=C3)CN)OC.C(=O)O

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC(C2)C3=CC=CC=C3)CN)OC.C(=O)O

InChI

InChI=1S/C18H21NO3.CH2O2/c1-20-15-9-8-13-14(18(15)21-2)10-16(22-17(13)11-19)12-6-4-3-5-7-12;2-1-3/h3-9,16-17H,10-11,19H2,1-2H3;1H,(H,2,3)