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

Systemtic Name: methyl 2-azanyl-3-[4-[3-(4-cyanophenyl)-2-oxidanylidene-imidazol-1-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 2-amino-3-[4-[3-(4-cyanophenyl)-2-oxo-imidazol-1-yl]phenyl]propanoate hydrochloride CAS Name: 2-amino-3-[4-[3-(4-cyanophenyl)-2-oxo-1-imidazolyl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-amino-3-[4-[3-(4-cyanophenyl)-2-oxoimidazol-1-yl]phenyl]propanoate hydrochloride Traditional Name: 2-amino-3-[4-[3-(4-cyanophenyl)-2-keto-4-imidazolin-1-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=C(C=C3)C#N)N.Cl

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)N2C=CN(C2=O)C3=CC=C(C=C3)C#N)N.Cl

InChI

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