(phenylmethyl) 2-[(6-butoxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(6-butoxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoate Openeye Name: benzyl 2-[(6-butoxy-4-hydroxy-isoquinoline-3-carbonyl)amino]acetate CAS Name: 2-[[(6-butoxy-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(6-butoxy-4-hydroxyisoquinoline-3-carbonyl)amino]acetate Traditional Name: 2-[(6-butoxy-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid benzyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C(=NC=C2C=C1)C(=O)NCC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCCOC1=CC2=C(C(=NC=C2C=C1)C(=O)NCC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C23H24N2O5/c1-2-3-11-29-18-10-9-17-13-24-21(22(27)19(17)12-18)23(28)25-14-20(26)30-15-16-7-5-4-6-8-16/h4-10,12-13,27H,2-3,11,14-15H2,1H3,(H,25,28)