(phenylmethyl) 2-[(6-butoxy-1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(6-butoxy-1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoate Openeye Name: benzyl 2-[(6-butoxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetate CAS Name: 2-[[(6-butoxy-1-chloro-4-hydroxy-3-isoquinolinyl)-oxomethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(6-butoxy-1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetate Traditional Name: 2-[(6-butoxy-1-chloro-4-hydroxy-isoquinoline-3-carbonyl)amino]acetic acid benzyl ester Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NCC(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NCC(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H23ClN2O5/c1-2-3-11-30-16-9-10-17-18(12-16)21(28)20(26-22(17)24)23(29)25-13-19(27)31-14-15-7-5-4-6-8-15/h4-10,12,28H,2-3,11,13-14H2,1H3,(H,25,29)