tert-butyl 5-[4-(isoquinolin-1-ylmethyl)phenyl]pent-4-ynoate

Systemtic Name: tert-butyl 5-[4-(isoquinolin-1-ylmethyl)phenyl]pent-4-ynoate Openeye Name: tert-butyl 5-[4-(1-isoquinolylmethyl)phenyl]pent-4-ynoate CAS Name: 5-[4-(1-isoquinolinylmethyl)phenyl]-4-pentynoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[4-(isoquinolin-1-ylmethyl)phenyl]pent-4-ynoate Traditional Name: 5-[4-(1-isoquinolylmethyl)phenyl]pent-4-ynoic acid tert-butyl ester Formula: C25H25NO2 MolecularWeight: 371.4715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC#CC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)CCC#CC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C25H25NO2/c1-25(2,3)28-24(27)11-7-4-8-19-12-14-20(15-13-19)18-23-22-10-6-5-9-21(22)16-17-26-23/h5-6,9-10,12-17H,7,11,18H2,1-3H3