tert-butyl 1,3-dibutyl-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1,3-dibutyl-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1,3-dibutyl-1H-isoquinoline-2-carboxylate CAS Name: 1,3-dibutyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1,3-dibutyl-1H-isoquinoline-2-carboxylate Traditional Name: 1,3-dibutyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)CCCC

Isomeric SMILES

CCCCC1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)CCCC

InChI

InChI=1S/C22H33NO2/c1-6-8-13-18-16-17-12-10-11-14-19(17)20(15-9-7-2)23(18)21(24)25-22(3,4)5/h10-12,14,16,20H,6-9,13,15H2,1-5H3