methyl 3-[4-[[6-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-yl]methyl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[[6-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-yl]methyl]phenyl]propanoate Openeye Name: methyl 3-[4-[[6-(2-pyrrolidin-1-ylethoxy)-1-isoquinolyl]methyl]phenyl]propanoate CAS Name: 3-[4-[[6-[2-(1-pyrrolidinyl)ethoxy]-1-isoquinolinyl]methyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[6-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-yl]methyl]phenyl]propanoate Traditional Name: 3-[4-[[6-(2-pyrrolidinoethoxy)-1-isoquinolyl]methyl]phenyl]propionic acid methyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)CC2=NC=CC3=C2C=CC(=C3)OCCN4CCCC4

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)CC2=NC=CC3=C2C=CC(=C3)OCCN4CCCC4

InChI

InChI=1S/C26H30N2O3/c1-30-26(29)11-8-20-4-6-21(7-5-20)18-25-24-10-9-23(19-22(24)12-13-27-25)31-17-16-28-14-2-3-15-28/h4-7,9-10,12-13,19H,2-3,8,11,14-18H2,1H3