[4-(isoquinolin-1-ylmethyl)phenyl] propanoate

Systemtic Name: [4-(isoquinolin-1-ylmethyl)phenyl] propanoate Openeye Name: [4-(1-isoquinolylmethyl)phenyl] propanoate CAS Name: propanoic acid [4-(1-isoquinolinylmethyl)phenyl] ester IUPAC Name: [4-(isoquinolin-1-ylmethyl)phenyl] propanoate Traditional Name: propionic acid [4-(1-isoquinolylmethyl)phenyl] ester Formula: C19H17NO2 MolecularWeight: 291.34378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C19H17NO2/c1-2-19(21)22-16-9-7-14(8-10-16)13-18-17-6-4-3-5-15(17)11-12-20-18/h3-12H,2,13H2,1H3