propan-2-yl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]propanoate

Systemtic Name: propan-2-yl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxidanylidene-1,2,4-triazol-4-yl]phenyl]propanoate Openeye Name: isopropyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-[1-(4-carbamimidoylphenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-keto-3-methyl-1,2,4-triazol-4-yl]phenyl]propionic acid isopropyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OC(C)C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OC(C)C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25N5O3/c1-14(2)30-20(28)13-6-16-4-9-18(10-5-16)26-15(3)25-27(22(26)29)19-11-7-17(8-12-19)21(23)24/h4-5,7-12,14H,6,13H2,1-3H3,(H3,23,24)