tert-butyl 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanoate

Systemtic Name: tert-butyl 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanoate Openeye Name: tert-butyl 3-[4-(1-isoquinolylmethyl)phenyl]propanoate CAS Name: 3-[4-(1-isoquinolinylmethyl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(isoquinolin-1-ylmethyl)phenyl]propanoate Traditional Name: 3-[4-(1-isoquinolylmethyl)phenyl]propionic acid tert-butyl ester Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C23H25NO2/c1-23(2,3)26-22(25)13-12-17-8-10-18(11-9-17)16-21-20-7-5-4-6-19(20)14-15-24-21/h4-11,14-15H,12-13,16H2,1-3H3