6-[2-[4-(3,4-dihydro-1H-isochromen-7-yl)-4-oxidanyl-piperidin-1-yl]-1-oxidanyl-ethyl]-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[2-[4-(3,4-dihydro-1H-isochromen-7-yl)-4-oxidanyl-piperidin-1-yl]-1-oxidanyl-ethyl]-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[1-hydroxy-2-(4-hydroxy-4-isochroman-7-yl-1-piperidyl)ethyl]-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[2-[4-(3,4-dihydro-1H-2-benzopyran-7-yl)-4-hydroxy-1-piperidinyl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[2-[4-(3,4-dihydro-1H-isochromen-7-yl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[1-hydroxy-2-(4-hydroxy-4-isochroman-7-yl-piperidino)ethyl]-3,4-dihydrocarbostyril Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C(CN3CCC(CC3)(C4=CC5=C(CCOC5)C=C4)O)O

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(CN3CCC(CC3)(C4=CC5=C(CCOC5)C=C4)O)O

InChI

InChI=1S/C25H30N2O4/c28-23(19-2-5-22-18(13-19)3-6-24(29)26-22)15-27-10-8-25(30,9-11-27)21-4-1-17-7-12-31-16-20(17)14-21/h1-2,4-5,13-14,23,28,30H,3,6-12,15-16H2,(H,26,29)