8-methoxy-6-methyl-3-(pyridin-3-ylmethyl)isochromen-1-one

Systemtic Name: 8-methoxy-6-methyl-3-(pyridin-3-ylmethyl)isochromen-1-one Openeye Name: 8-methoxy-6-methyl-3-(3-pyridylmethyl)isochromen-1-one CAS Name: 8-methoxy-6-methyl-3-(3-pyridinylmethyl)-2-benzopyran-1-one IUPAC Name: 8-methoxy-6-methyl-3-(pyridin-3-ylmethyl)isochromen-1-one Traditional Name: 8-methoxy-6-methyl-3-(3-pyridylmethyl)isocoumarin Formula: C17H15NO3 MolecularWeight: 281.3059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(OC2=O)CC3=CN=CC=C3)OC

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(OC2=O)CC3=CN=CC=C3)OC

InChI

InChI=1S/C17H15NO3/c1-11-6-13-9-14(8-12-4-3-5-18-10-12)21-17(19)16(13)15(7-11)20-2/h3-7,9-10H,8H2,1-2H3