methyl 3-[4-[3-(4-carbamimidoylphenyl)-4-methyl-2-oxidanylidene-1H-imidazol-5-yl]phenyl]propanoate hydrochloride

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-4-methyl-2-oxidanylidene-1H-imidazol-5-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-4-methyl-2-oxo-1H-imidazol-5-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-4-methyl-2-oxo-1H-imidazol-5-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-4-methyl-2-oxo-1H-imidazol-5-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-5-methyl-4-imidazolin-4-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC.Cl

Isomeric SMILES

CC1=C(NC(=O)N1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC.Cl

InChI

InChI=1S/C21H22N4O3.ClH/c1-13-19(15-6-3-14(4-7-15)5-12-18(26)28-2)24-21(27)25(13)17-10-8-16(9-11-17)20(22)23;/h3-4,6-11H,5,12H2,1-2H3,(H3,22,23)(H,24,27);1H