[1-(tert-butylamino)-3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)oxy-propan-2-yl] pentanoate

Systemtic Name: [1-(tert-butylamino)-3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)oxy-propan-2-yl] pentanoate Openeye Name: [1-[(tert-butylamino)methyl]-2-[(2-methyl-1-oxo-4-isoquinolyl)oxy]ethyl] pentanoate CAS Name: pentanoic acid [1-(tert-butylamino)-3-[(2-methyl-1-oxo-4-isoquinolinyl)oxy]propan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-3-(2-methyl-1-oxoisoquinolin-4-yl)oxypropan-2-yl] pentanoate Traditional Name: valeric acid [1-[(tert-butylamino)methyl]-2-[(1-keto-2-methyl-4-isoquinolyl)oxy]ethyl] ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(CNC(C)(C)C)COC1=CN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

CCCCC(=O)OC(CNC(C)(C)C)COC1=CN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C22H32N2O4/c1-6-7-12-20(25)28-16(13-23-22(2,3)4)15-27-19-14-24(5)21(26)18-11-9-8-10-17(18)19/h8-11,14,16,23H,6-7,12-13,15H2,1-5H3