tert-butyl 4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzoate

Systemtic Name: tert-butyl 4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzoate Openeye Name: tert-butyl 4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzoate CAS Name: 4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzoate Traditional Name: 4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzoic acid tert-butyl ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCC2=NC3=C(CCCN3)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCC2=NC3=C(CCCN3)C=C2

InChI

InChI=1S/C21H26N2O2/c1-21(2,3)25-20(24)17-9-6-15(7-10-17)8-12-18-13-11-16-5-4-14-22-19(16)23-18/h6-7,9-11,13H,4-5,8,12,14H2,1-3H3,(H,22,23)