tert-butyl 4-[2-(6-methanoyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(6-methanoyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(6-formyl-1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]piperidine-1-carboxylate CAS Name: 4-[2-(6-formyl-1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(6-formyl-1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-(6-formyl-1-keto-3,4-dihydroisoquinolin-2-yl)ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCC3=C(C2=O)C=CC(=C3)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCC3=C(C2=O)C=CC(=C3)C=O

InChI

InChI=1S/C22H30N2O4/c1-22(2,3)28-21(27)24-11-7-16(8-12-24)6-10-23-13-9-18-14-17(15-25)4-5-19(18)20(23)26/h4-5,14-16H,6-13H2,1-3H3