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

Systemtic Name: methyl (E)-3-[4-[[6-(3-pyrrolidin-1-ylpropoxy)isoquinolin-1-yl]methyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[[6-(3-pyrrolidin-1-ylpropoxy)-1-isoquinolyl]methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[6-[3-(1-pyrrolidinyl)propoxy]-1-isoquinolinyl]methyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[[6-(3-pyrrolidin-1-ylpropoxy)isoquinolin-1-yl]methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[6-(3-pyrrolidinopropoxy)-1-isoquinolyl]methyl]phenyl]acrylic acid methyl ester Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)CC2=NC=CC3=C2C=CC(=C3)OCCCN4CCCC4

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)CC2=NC=CC3=C2C=CC(=C3)OCCCN4CCCC4

InChI

InChI=1S/C27H30N2O3/c1-31-27(30)12-9-21-5-7-22(8-6-21)19-26-25-11-10-24(20-23(25)13-14-28-26)32-18-4-17-29-15-2-3-16-29/h5-14,20H,2-4,15-19H2,1H3/b12-9+