4-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)carbonyl-isochromen-1-one

Systemtic Name: 4-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)carbonyl-isochromen-1-one Openeye Name: 3-(2-methylpiperidine-1-carbonyl)-4-(p-tolyl)isochromen-1-one CAS Name: 4-(4-methylphenyl)-3-[(2-methyl-1-piperidinyl)-oxomethyl]-2-benzopyran-1-one IUPAC Name: 4-(4-methylphenyl)-3-(2-methylpiperidine-1-carbonyl)isochromen-1-one Traditional Name: 3-(2-methylpiperidine-1-carbonyl)-4-(p-tolyl)isocoumarin Formula: C23H23NO3 MolecularWeight: 361.43362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCCCN1C(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H23NO3/c1-15-10-12-17(13-11-15)20-18-8-3-4-9-19(18)23(26)27-21(20)22(25)24-14-6-5-7-16(24)2/h3-4,8-13,16H,5-7,14H2,1-2H3