2-[2-[4-[(3-methoxyphenyl)methyl]-4-oxidanyl-piperidin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one

Systemtic Name: 2-[2-[4-[(3-methoxyphenyl)methyl]-4-oxidanyl-piperidin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one Openeye Name: 3-hydroxy-2-[2-[4-hydroxy-4-[(3-methoxyphenyl)methyl]-1-piperidyl]ethyl]-3H-benzo[de]isoquinolin-1-one CAS Name: 3-hydroxy-2-[2-[4-hydroxy-4-[(3-methoxyphenyl)methyl]-1-piperidinyl]ethyl]-3H-benzo[de]isoquinolin-1-one IUPAC Name: 3-hydroxy-2-[2-[4-hydroxy-4-[(3-methoxyphenyl)methyl]piperidin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one Traditional Name: 3-hydroxy-2-[2-(4-hydroxy-4-m-anisyl-piperidino)ethyl]-3H-benzo[de]isoquinolin-1-one Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCN(CC2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC2(CCN(CC2)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O)O

InChI

InChI=1S/C27H30N2O4/c1-33-21-8-2-5-19(17-21)18-27(32)11-13-28(14-12-27)15-16-29-25(30)22-9-3-6-20-7-4-10-23(24(20)22)26(29)31/h2-10,17,25,30,32H,11-16,18H2,1H3