tert-butyl 4-methanoyl-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 4-methanoyl-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 4-formyl-1H-isoquinoline-2-carboxylate CAS Name: 4-formyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-formyl-1H-isoquinoline-2-carboxylate Traditional Name: 4-formyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C15H17NO3 MolecularWeight: 259.30038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C(=C1)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C(=C1)C=O

InChI

InChI=1S/C15H17NO3/c1-15(2,3)19-14(18)16-8-11-6-4-5-7-13(11)12(9-16)10-17/h4-7,9-10H,8H2,1-3H3