methyl 3-[4-[3-(1-chloranylisoquinolin-6-yl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[3-(1-chloranylisoquinolin-6-yl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(1-chloro-6-isoquinolyl)-2-oxo-imidazolidin-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(1-chloro-6-isoquinolinyl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(1-chloroisoquinolin-6-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(1-chloro-6-isoquinolyl)-2-keto-imidazolidin-1-yl]phenyl]propionic acid methyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=O)C3=CC4=C(C=C3)C(=NC=C4)Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=O)C3=CC4=C(C=C3)C(=NC=C4)Cl

InChI

InChI=1S/C22H20ClN3O3/c1-29-20(27)9-4-15-2-5-17(6-3-15)25-12-13-26(22(25)28)18-7-8-19-16(14-18)10-11-24-21(19)23/h2-3,5-8,10-11,14H,4,9,12-13H2,1H3