N'-[2-(4-imidazol-1-ylphenyl)-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-3-methoxy-propanimidamide

Systemtic Name: N'-[2-(4-imidazol-1-ylphenyl)-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-3-methoxy-propanimidamide Openeye Name: N'-[3-hydroxy-2-(4-imidazol-1-ylphenyl)-4-oxo-chromen-6-yl]-3-methoxy-propanamidine CAS Name: N'-[3-hydroxy-2-[4-(1-imidazolyl)phenyl]-4-oxo-1-benzopyran-6-yl]-3-methoxypropanimidamide IUPAC Name: N'-[3-hydroxy-2-(4-imidazol-1-ylphenyl)-4-oxochromen-6-yl]-3-methoxypropanimidamide Traditional Name: N'-[3-hydroxy-2-(4-imidazol-1-ylphenyl)-4-keto-chromen-6-yl]-3-methoxy-propionamidine Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=NC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)N4C=CN=C4)N

Isomeric SMILES

COCCC(=NC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)N4C=CN=C4)N

InChI

InChI=1S/C22H20N4O4/c1-29-11-8-19(23)25-15-4-7-18-17(12-15)20(27)21(28)22(30-18)14-2-5-16(6-3-14)26-10-9-24-13-26/h2-7,9-10,12-13,28H,8,11H2,1H3,(H2,23,25)