[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propyl] (E)-3-pyridin-3-ylprop-2-enoate

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propyl] (E)-3-pyridin-3-ylprop-2-enoate Openeye Name: [3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propyl] (E)-3-(3-pyridyl)prop-2-enoate CAS Name: (E)-3-(3-pyridinyl)-2-propenoic acid [3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl] ester IUPAC Name: [3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl] (E)-3-pyridin-3-ylprop-2-enoate Traditional Name: (E)-3-(3-pyridyl)acrylic acid [3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propyl] ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(COC(=O)C=CC3=CN=CC=C3)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(COC(=O)/C=C/C3=CN=CC=C3)O

InChI

InChI=1S/C20H22N2O3/c23-19(14-22-11-9-17-5-1-2-6-18(17)13-22)15-25-20(24)8-7-16-4-3-10-21-12-16/h1-8,10,12,19,23H,9,11,13-15H2/b8-7+