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

Systemtic Name: methyl (E)-3-[4-[[6-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-yl]methyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[[6-(2-pyrrolidin-1-ylethoxy)-1-isoquinolyl]methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[6-[2-(1-pyrrolidinyl)ethoxy]-1-isoquinolinyl]methyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[[6-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-yl]methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[6-(2-pyrrolidinoethoxy)-1-isoquinolyl]methyl]phenyl]acrylic acid methyl ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)CC2=NC=CC3=C2C=CC(=C3)OCCN4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3/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/h4-13,19H,2-3,14-18H2,1H3/b11-8+