1-[6-oxidanyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]octan-1-one

Systemtic Name: 1-[6-oxidanyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]octan-1-one Openeye Name: 1-[6-hydroxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]octan-1-one CAS Name: 1-[6-hydroxy-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-octanone IUPAC Name: 1-[6-hydroxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]octan-1-one Traditional Name: 1-[6-hydroxy-1-[4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]octan-1-one Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)OCCN4CCCC4)C=CC(=C2)O

Isomeric SMILES

CCCCCCCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)OCCN4CCCC4)C=CC(=C2)O

InChI

InChI=1S/C29H40N2O3/c1-2-3-4-5-6-9-28(33)31-19-16-24-22-25(32)12-15-27(24)29(31)23-10-13-26(14-11-23)34-21-20-30-17-7-8-18-30/h10-15,22,29,32H,2-9,16-21H2,1H3