methyl 2-azanyl-3-[4-[3-(4-cyanophenyl)-2-oxidanylidene-1H-imidazol-4-yl]phenyl]propanoate

Systemtic Name: methyl 2-azanyl-3-[4-[3-(4-cyanophenyl)-2-oxidanylidene-1H-imidazol-4-yl]phenyl]propanoate Openeye Name: methyl 2-amino-3-[4-[3-(4-cyanophenyl)-2-oxo-1H-imidazol-4-yl]phenyl]propanoate CAS Name: 2-amino-3-[4-[3-(4-cyanophenyl)-2-oxo-1H-imidazol-4-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-[4-[3-(4-cyanophenyl)-2-oxo-1H-imidazol-4-yl]phenyl]propanoate Traditional Name: 2-amino-3-[4-[3-(4-cyanophenyl)-2-keto-4-imidazolin-4-yl]phenyl]propionic acid methyl ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=CNC(=O)N2C3=CC=C(C=C3)C#N)N

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)C2=CNC(=O)N2C3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C20H18N4O3/c1-27-19(25)17(22)10-13-2-6-15(7-3-13)18-12-23-20(26)24(18)16-8-4-14(11-21)5-9-16/h2-9,12,17H,10,22H2,1H3,(H,23,26)