methyl 3-[4-(3-isoquinolin-6-yl-2-oxidanylidene-imidazol-1-yl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(3-isoquinolin-6-yl-2-oxidanylidene-imidazol-1-yl)phenyl]propanoate Openeye Name: methyl 3-[4-[3-(6-isoquinolyl)-2-oxo-imidazol-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(6-isoquinolinyl)-2-oxo-1-imidazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-isoquinolin-6-yl-2-oxoimidazol-1-yl)phenyl]propanoate Traditional Name: 3-[4-[3-(6-isoquinolyl)-2-keto-4-imidazolin-1-yl]phenyl]propionic acid methyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C22H19N3O3/c1-28-21(26)9-4-16-2-6-19(7-3-16)24-12-13-25(22(24)27)20-8-5-18-15-23-11-10-17(18)14-20/h2-3,5-8,10-15H,4,9H2,1H3