4-(4-methylphenyl)-3-pyrrolidin-1-ylcarbonyl-isochromen-1-one

Systemtic Name: 4-(4-methylphenyl)-3-pyrrolidin-1-ylcarbonyl-isochromen-1-one Openeye Name: 4-(p-tolyl)-3-(pyrrolidine-1-carbonyl)isochromen-1-one CAS Name: 4-(4-methylphenyl)-3-[oxo(1-pyrrolidinyl)methyl]-2-benzopyran-1-one IUPAC Name: 4-(4-methylphenyl)-3-(pyrrolidine-1-carbonyl)isochromen-1-one Traditional Name: 4-(p-tolyl)-3-(pyrrolidine-1-carbonyl)isocoumarin Formula: C21H19NO3 MolecularWeight: 333.38046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCCC4

InChI

InChI=1S/C21H19NO3/c1-14-8-10-15(11-9-14)18-16-6-2-3-7-17(16)21(24)25-19(18)20(23)22-12-4-5-13-22/h2-3,6-11H,4-5,12-13H2,1H3